##############################################################################
 ##   Processing of diffraction images: Iterative indexing with XDS
 ##############################################################################

      Copyright (C) 2004-2019 by Global Phasing Limited
 
                All rights reserved.
 
                This software is proprietary to and embodies the confidential
                technology of Global Phasing Limited (GPhL). Possession, use,
                duplication or dissemination of the software is authorised
                only pursuant to a valid written licence from GPhL.

      Version:  1.1.7  <2019-09-23 02:00:16>

 ------------------------------------------------------------------------------

      Authors:  (2007-2007) C. Vonrhein
                (2008-2018) C. Flensburg, C. Vonrhein

      Contact:  proc-develop@GlobalPhasing.com
 
  Please cite:  Vonrhein, C., Flensburg, C., Keller, P., Sharff, A., Smart, O.,
                Paciorek, W., Womack, T. & Bricogne, G. (2011). Data processing
                and analysis with the autoPROC toolbox. Acta Cryst. D67, 293-302.
 
                see: http://journals.iucr.org/d/issues/2011/04/00/ba5166/ba5166bdy.html
 
 ==============================================================================
 
'SPOT.XDS_orig' -> 'SPOT.XDS'
 
 starting from a total of 69431 spots!
 
 ################################ 1 ################################ 
   indexing: 61838/69431 (89.1%)  61768/61838 (89.0%)  done
 
      61768 spots: <spot strength> = 69.1  with  sd = 398.8
 REFINED VALUES OF DIFFRACTION PARAMETERS DERIVED FROM     61270 INDEXED SPOTS
 STANDARD DEVIATION OF SPOT    POSITION (PIXELS)     0.40
 STANDARD DEVIATION OF SPINDLE POSITION (DEGREES)    0.08
 UNIT CELL PARAMETERS    139.655   161.505   161.478 119.961  89.944  90.076
 COORDINATES OF UNIT CELL A-AXIS    16.936   134.108   -35.095
 COORDINATES OF UNIT CELL B-AXIS    89.654   -44.697  -126.681
 COORDINATES OF UNIT CELL C-AXIS  -159.866    16.157   -16.029
 DETECTOR COORDINATES (PIXELS) OF DIRECT BEAM    1231.55   1264.63
 DETECTOR ORIGIN (PIXELS) AT                     1231.50   1263.50
 CRYSTAL TO DETECTOR DISTANCE (mm)       400.00
 
 ################################ 2 ################################ 
   indexing: 563/7593 (0.8%)  462/563 (0.7%)  407/462 (0.6%)  371/407 (0.5%)  343/371 (0.5%)  done
 
 
 WARNING : IDXREF job apparently gave an error!
 
        343 spots: <spot strength> = 26.3  with  sd = 27.7
 REFINED VALUES OF DIFFRACTION PARAMETERS DERIVED FROM       257 INDEXED SPOTS
 STANDARD DEVIATION OF SPOT    POSITION (PIXELS)     0.41
 STANDARD DEVIATION OF SPINDLE POSITION (DEGREES)    0.19
 UNIT CELL PARAMETERS    139.440   161.627   161.330  60.057  89.912  89.973
 COORDINATES OF UNIT CELL A-AXIS    18.566   133.670   -35.088
 COORDINATES OF UNIT CELL B-AXIS   -70.364   -27.647  -142.855
 COORDINATES OF UNIT CELL C-AXIS  -159.494    18.194   -16.069
 DETECTOR COORDINATES (PIXELS) OF DIRECT BEAM    1231.61   1265.26
 DETECTOR ORIGIN (PIXELS) AT                     1231.50   1263.50
 CRYSTAL TO DETECTOR DISTANCE (mm)       400.00
 
 ################################ 3 ################################ 
   indexing: 428/7030 (0.6%)  125/428 (0.2%)  65/125 (0.1%)  33/65 (0.0%)  27/33 (0.0%)  done
 
         27 spots: <spot strength> = 37.2  with  sd = 23.2
 REFINED VALUES OF DIFFRACTION PARAMETERS DERIVED FROM        30 INDEXED SPOTS
 STANDARD DEVIATION OF SPOT    POSITION (PIXELS)     0.41
 STANDARD DEVIATION OF SPINDLE POSITION (DEGREES)    0.29
 UNIT CELL PARAMETERS    139.472   161.138   161.601 120.251  90.104  89.980
 COORDINATES OF UNIT CELL A-AXIS    16.678   133.858   -35.447
 COORDINATES OF UNIT CELL B-AXIS   -88.431    44.724   127.064
 COORDINATES OF UNIT CELL C-AXIS   160.139   -16.544    14.028
 DETECTOR COORDINATES (PIXELS) OF DIRECT BEAM    1231.18   1265.08
 DETECTOR ORIGIN (PIXELS) AT                     1231.50   1263.50
 CRYSTAL TO DETECTOR DISTANCE (mm)       400.00
 
 >>>>> Stopping, since last indexing used fewer than 50 spots !!!
       (/home/vonrhein/Projects/AnomalousSignal/20190911/5C66/autoPROC.01/IDXREF.LP)
 
 
 NOTE : best solution (IterativeIndexing/Lattice01_SPOT.XDS)
        has 61768 indexed spots
 
 
 NOTE : most indexed spots per image (285) for
        IterativeIndexing/Lattice01_SPOT.XDS
 
 
 NOTE : indexing solution with largest number of indexed
        spots = Lattice01
 
 
 NOTE : you can check the current status with GPX2 by
        running autoPROC.01/status/01_run_idxref_01/gpx.sh
 
 
 NOTE : you can check the current status on the following
        pictures!
 
          autoPROC.01/01_run_idxref_01_I3_1_00001.cbf.jpg
          autoPROC.01/01_run_idxref_01_I3_1_00200.cbf.jpg
 
 
 NOTE : you can check the current status with GPX2 by
        running autoPROC.01/status/02_run_idxref/gpx.sh
 
 
 NOTE : plot(s) with indexed spots for all solutions created
        = run_idxref_spot_hkl_hist.png
        run_idxref_spot_hkl_histfrc.png
 

 Normal termination (48 sec)

 ##############################################################################

      

 ##############################################################################
 ##   Processing of diffraction images: Analysing spot list from XDS as a function of resolution
 ##############################################################################

      Copyright (C) 2004-2019 by Global Phasing Limited
 
                All rights reserved.
 
                This software is proprietary to and embodies the confidential
                technology of Global Phasing Limited (GPhL). Possession, use,
                duplication or dissemination of the software is authorised
                only pursuant to a valid written licence from GPhL.

      Version:  1.1.7  <2019-09-23 02:00:38>

 ------------------------------------------------------------------------------

      Authors:   G. Bricogne, C. Flensburg, P. Keller, W. Paciorek,
                 A. Sharff, O. Smart, I. Tickle, C. Vonrhein, T. Womack
                (2007-2018) C. Vonrhein

      Contact:  proc-develop@GlobalPhasing.com
 
  Please cite:  Vonrhein, C., Flensburg, C., Keller, P., Sharff, A., Smart, O.,
                Paciorek, W., Womack, T. & Bricogne, G. (2011). Data processing
                and analysis with the autoPROC toolbox. Acta Cryst. D67, 293-302.
 
                see: http://journals.iucr.org/d/issues/2011/04/00/ba5166/ba5166bdy.html
 
 ==============================================================================
 
 
 NOTE : recommended resolution limit based on indexed spots
        = 0.00 - 0.00 A
 
        reslow  = 0.00
        reshigh = 0.00
 
  Resolution [A] :  no. of spots
 ------------------------------------------------------------------------------
   4.81 -   4.80 :         22 spots with score=      0.031  
   4.62 -   4.61 :         31 spots with score=      0.043  
   4.51 -   4.46 :         95 spots with score=      0.044  
   4.44 -   4.42 :         50 spots with score=      0.047  
   4.40 -   4.39 :         29 spots with score=      0.041  
   4.37 -   4.31 :        129 spots with score=      0.052  
   4.29 -   4.28 :         27 spots with score=      0.038  
   4.24 -   4.18 :        123 spots with score=      0.049  
   4.16 -   3.82 :       1039 spots with score=      0.083  
   3.80 -   3.64 :        589 spots with score=      0.097  
   3.62 -   2.82 :       2732 spots with score=      0.094  
   2.78 -   2.71 :        134 spots with score=      0.047  
   2.69 -   2.66 :        162 spots with score=      0.113    known ice-ring resolution
   2.64 -   2.60 :         79 spots with score=      0.044  
   2.58 -   2.56 :         55 spots with score=      0.051  
   2.52 -   2.50 :         44 spots with score=      0.041  
   2.48 -   2.42 :        141 spots with score=      0.056  
   2.25 -   2.25 :        323 spots with score=      0.905    known ice-ring resolution
   2.07 -   2.07 :        242 spots with score=      0.678    known ice-ring resolution
   1.95 -   1.95 :         20 spots with score=      0.056    known ice-ring resolution
   1.93 -   1.92 :        128 spots with score=      0.179  
 

 Normal termination (0 sec)

 ##############################################################################

      

 ***** CORRECT ***** (VERSION Mar 15, 2019  BUILT=20190606)  29-Oct-2019

 INPUT PARAMETER VALUES
 ----------------------
 SPACE_GROUP_NUMBER=  182 as used in the INTEGRATE step
 UNIT_CELL_CONSTANTS=   161.224   161.224   139.491  90.000  90.000 120.000 as used by INTEGRATE
 FRIEDEL'S_LAW=TRUE 
 PROFILE_FITTING= TRUE 
 OVERLOAD=    898625     MINPK=  75.00000    WFAC1=   1.0
 INCLUDE_RESOLUTION_RANGE=   999.000     0.000
 NAME_TEMPLATE_OF_DATA_FRAMES=Images/I3_1_?????.cbf CBF
 DATA_RANGE=       1     357
 ROTATION_AXIS=  1.000000  0.000053 -0.000261
 OSCILLATION_RANGE=  0.150000
 STARTING_ANGLE=   195.000     STARTING_FRAME=       1
 X-RAY_WAVELENGTH=  0.979500
 INCIDENT_BEAM_DIRECTION=  0.001741 -0.000774  1.020927
 FRACTION_OF_POLARIZATION=   0.990
 POLARIZATION_PLANE_NORMAL=  0.000000  1.000000  0.000000
 AIR=   0.00032
 DETECTOR=PILATUS
 SILICON=  3.706910 SENSOR_THICKNESS=  0.320000
 NUMBER OF DETECTOR SEGMENTS   1
 NX=  2463  NY=  2527    QX=  0.172000  QY=  0.172000
 ORGX=   1227.57  ORGY=   1266.56
 DETECTOR_DISTANCE=   399.570
 DIRECTION_OF_DETECTOR_X-AXIS=   1.00000   0.00000   0.00000
 DIRECTION_OF_DETECTOR_Y-AXIS=   0.00000   1.00000   0.00000
 BEAM_DIVERGENCE_E.S.D.=   0.025
 REFLECTING_RANGE_E.S.D.=   0.121
 MINIMUM_ZETA=     0.050
 MAXIMUM_ERROR_OF_SPOT_POSITION=   2.0
 MAXIMUM_ERROR_OF_SPINDLE_POSITION=   2.0
 MINIMUM_I/SIGMA=   3.0
 REFLECTIONS/CORRECTION_FACTOR=      50
 STRICT_ABSORPTION_CORRECTION=FALSE 
 CORRECTIONS= DECAY MODULATION ABSORPTION                      
 REFERENCE_DATA_SET=                                                  
 FIT_B-FACTOR_TO_REFERENCE_DATA_SET=FALSE 
 EXCLUDE_RESOLUTION_RANGE=     2.698     2.652
 EXCLUDE_RESOLUTION_RANGE=     2.255     2.245
 EXCLUDE_RESOLUTION_RANGE=     2.075     2.065

  562318 REFLECTIONS ON FILE "INTEGRATE.HKL"
       0 CORRUPTED REFLECTION RECORDS (IGNORED)
       0 MATCHING REFLECTIONS SPECIFIED IN FILE "FILTER.HKL"
       0 REFLECTIONS INCOMPLETE OR OUTSIDE IMAGE RANGE       1 ...     357
       0 OVERLOADED REFLECTIONS (IGNORED)
    1085 REFLECTIONS OUTSIDE ACCEPTED RESOLUTION RANGES
                OR TOO CLOSE TO ROTATION AXIS (IGNORED)
  561233 REFLECTIONS ACCEPTED



 ******************************************************************************
                      AUTOMATIC SPACE GROUP ASSIGNMENT
 ******************************************************************************

 XDS adopts the following approach.
 (1) it looks for possible symmetries of the crystal lattice
 (2) it computes a redundancy independent R-factor for all enantiomorphous
     point groups compatible with the observed lattice symmetry.
 (3) it selects the group which explains the intensity data at an acceptable,
     redundancy-independent R-factor (Rmeas, Rrim) using a minimum number of
     unique reflections.

 This approach does not test for the presence of screw axes. Consequently,
 orthorhombic cell axes will be specified in increasing length (following
 conventions), despite the possibility that different assignments for the
 cell axes could become necessary for space groups P222(1) and P2(1)2(1)2
 containing one or two screw axes, respectively.

 The user can always override the automatic decisions by specifying the
 correct space group number and unit cell constants in XDS.INP and repeating
 the CORRECT step of XDS. This provides a simple way to rename orthorhombic
 cell constants if screw axes are present.

 In addition, the user has the option to specify in XDS.INP
 (a) a reference data set or
 (b) a reindexing transformation or
 (c) the three basis vectors (if known from processing a previous data set
 taken at the same crystal orientation in a multi-wavelength experiment).
 These features of XDS are useful for resolving the issue of alternative
 settings of polar or rhombohedral cells (like P4, P6, R3).

 =====> Specifications provided by the user in XDS.INP:
 SPACE_GROUP_NUMBER=  182 (0: unknown symmetry and unit cell)
 UNIT_CELL_CONSTANTS=   161.22   161.22   139.49  90.000  90.000 120.000
 UNIT_CELL_A-AXIS=  -159.671    15.976   -15.592 (0 0 0 : unknown)
 UNIT_CELL_B-AXIS=    89.335   -44.300  -126.689 (0 0 0 : unknown)
 UNIT_CELL_C-AXIS=   -16.822  -133.980    34.988 (0 0 0 : unknown)
 REIDX=  1  0  0  0  0  1  0  0  0  0  1  0 (all 0 : not specified)
 TEST_RESOLUTION_RANGE=   10.00    5.00 (Angstrom) for space group determination
 NUMBER OF ACCEPTED REFLECTIONS FOR CALCULATING Rmeas            24124
 NUMBER OF ACCEPTED UNIQUE REFLECTIONS FROM REFERENCE DATA SET       0


 *********** DETERMINATION OF LATTICE CHARACTER AND BRAVAIS LATTICE ***********

 The CHARACTER OF A LATTICE is defined by the metrical parameters of its
 reduced cell as described in the INTERNATIONAL TABLES FOR CRYSTALLOGRAPHY
 Volume A, p. 746 (KLUWER ACADEMIC PUBLISHERS, DORDRECHT/BOSTON/LONDON, 1989).
 Note that more than one lattice character may have the same BRAVAIS LATTICE.

 A lattice character is marked "*" to indicate a lattice consistent with the
 observed locations of the diffraction spots. These marked lattices must have
 low values for the QUALITY OF FIT and their implicated UNIT CELL CONSTANTS
 should not violate the ideal values by more than
 MAX_CELL_AXIS_ERROR=  0.03
 MAX_CELL_ANGLE_ERROR=           2.0 (Degrees)

 The REINDEXING TRANSFORMATION REIDX() consists of 12 integers that relate
 the original indices H,K,L from file INTEGRATE.HKL to the indices H',K',L'
 with respect to the new cell.
    H'=(REIDX(1)*H+REIDX( 2)*K+REIDX( 3)*L)/IDXV+REIDX( 4)
    K'=(REIDX(5)*H+REIDX( 6)*K+REIDX( 7)*L)/IDXV+REIDX( 8)
    L'=(REIDX(9)*H+REIDX(10)*K+REIDX(11)*L)/IDXV+REIDX(12)
 The value of the integer IDXV depends on the lattice type used for
 specifying reflections on file INTEGRATE.HKL; IDXV is
 1 for a primitive,
 2 for a face or body centred,
 3 for a rhombohedral,
 4 for a lattice centred on all faces.
 IDXV is set by XDS and cannot be input by the user.

  LATTICE-  BRAVAIS-   QUALITY  UNIT CELL CONSTANTS (ANGSTROEM & DEGREES)    REINDEXING TRANSFORMATION
 CHARACTER  LATTICE     OF FIT      a      b      c   alpha  beta gamma

 *  44        aP          0.0     139.5  161.2  161.2 120.0  90.0  90.0    0  0  1  0  0 -1  0  0  1  1  0  0
 *  31        aP          0.0     139.5  161.2  161.2  60.0  90.0  90.0    0  0 -1  0  0 -1  0  0 -1 -1  0  0
 *  35        mP          0.0     161.2  139.5  161.2  90.0 120.0  90.0    0  1  0  0  0  0 -1  0 -1 -1  0  0
 *  41        mC          0.0     279.2  161.2  139.5  90.0  90.0  90.0   -2 -1  0  0  0  1  0  0  0  0 -1  0
 *  30        mC          0.0     161.2  279.2  139.5  90.0  90.0  90.0    0 -1  0  0  2  1  0  0  0  0  1  0
 *  40        oC          0.0     161.2  279.2  139.5  90.0  90.0  90.0    0  1  0  0  2  1  0  0  0  0 -1  0
 *  25        mC          0.0     161.2  279.2  139.5  90.0  90.0  90.0    1  0  0  0  1  2  0  0  0  0  1  0
 *  23        oC          0.0     161.2  279.2  139.5  90.0  90.0  90.0    1  0  0  0  1  2  0  0  0  0  1  0
 *  20        mC          0.0     279.2  161.2  139.5  90.0  90.0  90.0   -1 -2  0  0  1  0  0  0  0  0  1  0
 *  22        hP          0.0     161.2  161.2  139.5  90.0  90.0 120.0    0 -1  0  0  1  1  0  0  0  0  1  0
    39        mC        250.0     351.3  139.5  161.2  90.0 117.3  66.6    0  2 -1  0  0  0 -1  0 -1 -1  0  0
    37        mC        250.0     351.3  139.5  161.2  90.0 117.3  66.6    2  2  1  0  0  0  1  0  0 -1  0  0
    42        oI        250.0     139.5  161.2  312.1  90.0 116.5  90.0    0  0 -1  0  0  1  0  0  2  1  1  0
    34        mP        333.9     139.5  161.2  161.2 120.0  90.0  90.0    0  0 -1  0 -1 -1  0  0  0  1  0  0
    32        oP        333.9     139.5  161.2  161.2 120.0  90.0  90.0    0  0  1  0  0 -1  0  0  1  1  0  0
    33        mP        333.9     139.5  161.2  161.2 120.0  90.0  90.0    0  0  1  0  0 -1  0  0  1  1  0  0
    21        tP        333.9     161.2  161.2  139.5  90.0  90.0 120.0    0 -1  0  0  1  1  0  0  0  0  1  0
    27        mC        500.0     351.3  139.5  161.2  90.0 117.3  66.6    0 -2  1  0  0  0  1  0 -1  0  0  0
    19        oI        500.0     139.5  161.2  312.1  90.0  63.5  90.0    0  0  1  0 -1  0  0  0 -1 -2  1  0
    10        mC        501.8     213.2  213.2  161.2  67.8 112.2  98.3    0 -1 -1  0  0  1 -1  0  1  1  0  0
    13        oC        501.8     213.2  213.2  161.2 112.2 112.2  81.7    0 -1  1  0  0 -1 -1  0  1  1  0  0
    15        tI        501.8     139.5  161.2  312.1  90.0  63.5  90.0    0  0  1  0  0 -1  0  0  2  1  1  0
    14        mC        501.8     213.2  213.2  161.2 112.2 112.2  81.7    0 -1  1  0  0 -1 -1  0  1  1  0  0
    11        tP        501.8     139.5  161.2  161.2 120.0  90.0  90.0    0  0  1  0  0  1  0  0 -1 -1  0  0
     4        hR        501.8     213.2  213.2  213.2  81.8  98.2  98.2    0  1  1  0  1  1 -1  0 -1  0 -1  0
     2        hR        501.8     213.2  213.2  312.1 107.1  72.9 135.6    0  1 -1  0 -1 -1  1  0  1  2  1  0
    28        mC        583.9     139.5  351.3  161.2  62.7  90.0  66.6    0  0  1  0  2  2  1  0  0  1  0  0
    29        mC        583.9     139.5  351.3  161.2  62.7  90.0  66.6    0  0 -1  0  0  2 -1  0  1  1  0  0
    36        oC        583.9     139.5  351.3  161.2  62.7  90.0 113.4    0  0  1  0 -2 -2 -1  0  0 -1  0  0
    38        oC        583.9     139.5  351.3  161.2  62.7  90.0 113.4    0  0 -1  0  0 -2  1  0 -1 -1  0  0
     1        cF        585.8     213.2  213.2  312.1 107.0 107.0  98.3    1  0 -1  0 -1  0 -1  0  1  2  1  0
    24        hR        666.7     312.1  279.2  139.5  90.0  63.5 116.6    1 -1  1  0  1  2  0  0  0  0  1  0
     5        cI        669.1     213.2  213.2  161.2  67.8  67.8  81.8    1  1  1  0  0 -1  1  0  1  0  0  0
    26        oF        708.9     139.5  351.3  351.3  54.6 113.4 113.4    0  0 -1  0  0 -2  1  0 -2 -2  1  0
    18        tI        708.9     161.2  312.1  139.5  63.5  90.0  90.0   -1  0  0  0  1  2 -1  0  0  0 -1  0
    12        hP        751.8     139.5  161.2  161.2 120.0  90.0  90.0    0  0  1  0  0 -1  0  0  1  1  0  0
     9        hR        751.8     139.5  213.2  448.8  70.2 108.1 130.9    0  0 -1  0  0  1  1  0  3  2  1  0
     3        cP        835.8     139.5  161.2  161.2 120.0  90.0  90.0    0  0  1  0  0 -1  0  0  1  1  0  0
     6        tI        999.0     161.2  213.2  213.2  81.8  67.8  67.8    1  0  0  0  1  1  1  0  0 -1  1  0
     7        tI        999.0     213.2  213.2  161.2  67.8  67.8  81.8    1  1  1  0  0 -1  1  0  1  0  0  0
     8        oI        999.0     213.2  213.2  161.2  67.8  67.8  81.8    0  1 -1  0 -1 -1 -1  0 -1  0  0  0
    16        oF        999.0     213.2  213.2  312.1  73.0 107.0  81.7    0 -1 -1  0  0 -1  1  0 -2 -1  1  0
    17        mC        999.0     213.2  213.2  213.2  81.8 135.6  81.7    0  1  1  0  0  1 -1  0 -1 -1 -1  0
    43        mI        999.0     213.2  312.1  161.2  90.0 139.1  73.0    0 -1  1  0  2  1  1  0  0  1  0  0

 ****** LATTICE SYMMETRY IMPLICATED BY SPACE GROUP SYMMETRY ******

BRAVAIS-            POSSIBLE SPACE-GROUPS FOR PROTEIN CRYSTALS
  TYPE                     [SPACE GROUP NUMBER,SYMBOL]
  aP      [1,P1]
  mP      [3,P2] [4,P2(1)]
 mC,mI    [5,C2]
  oP      [16,P222] [17,P222(1)] [18,P2(1)2(1)2] [19,P2(1)2(1)2(1)]
  oC      [21,C222] [20,C222(1)]
  oF      [22,F222]
  oI      [23,I222] [24,I2(1)2(1)2(1)]
  tP      [75,P4] [76,P4(1)] [77,P4(2)] [78,P4(3)] [89,P422] [90,P42(1)2]
          [91,P4(1)22] [92,P4(1)2(1)2] [93,P4(2)22] [94,P4(2)2(1)2]
          [95,P4(3)22] [96,P4(3)2(1)2]
  tI      [79,I4] [80,I4(1)] [97,I422] [98,I4(1)22]
  hP      [143,P3] [144,P3(1)] [145,P3(2)] [149,P312] [150,P321] [151,P3(1)12]
          [152,P3(1)21] [153,P3(2)12] [154,P3(2)21] [168,P6] [169,P6(1)]
          [170,P6(5)] [171,P6(2)] [172,P6(4)] [173,P6(3)] [177,P622]
          [178,P6(1)22] [179,P6(5)22] [180,P6(2)22] [181,P6(4)22] [182,P6(3)22]
  hR      [146,R3] [155,R32]
  cP      [195,P23] [198,P2(1)3] [207,P432] [208,P4(2)32] [212,P4(3)32]
          [213,P4(1)32]
  cF      [196,F23] [209,F432] [210,F4(1)32]
  cI      [197,I23] [199,I2(1)3] [211,I432] [214,I4(1)32]


 ************ SELECTED SPACE GROUP AND UNIT CELL FOR THIS DATA SET ************

 SPACE_GROUP_NUMBER=  182
 UNIT_CELL_CONSTANTS=   161.22   161.22   139.49  90.000  90.000 120.000
 UNIT_CELL_A-AXIS=  -159.667    15.947   -15.638
 UNIT_CELL_B-AXIS=    89.381   -44.258  -126.667
 UNIT_CELL_C-AXIS=   -16.807  -133.993    34.959
 REFLECTIONS H,K,L FROM "INTEGRATE.HKL" WILL BE REINDEXED BY
 H' = (  1*H +  0*K +  0*L)/ 1 +  0
 K' = (  0*H +  1*K +  0*L)/ 1 +  0
 L' = (  0*H +  0*K +  1*L)/ 1 +  0

 ***** 12 EQUIVALENT POSITIONS IN SPACE GROUP #182 *****

    If x',y',z' is an equivalent position to x,y,z, then
        x'=x*ML(1)+y*ML( 2)+z*ML( 3)+ML( 4)/12.0
        y'=x*ML(5)+y*ML( 6)+z*ML( 7)+ML( 8)/12.0
        z'=x*ML(9)+y*ML(10)+z*ML(11)+ML(12)/12.0

    #    1  2  3  4    5  6  7  8    9 10 11 12 
    1    1  0  0  0    0  1  0  0    0  0  1  0
    2    0 -1  0  0    1 -1  0  0    0  0  1  0
    3   -1  1  0  0   -1  0  0  0    0  0  1  0
    4   -1  0  0  0    0 -1  0  0    0  0  1  6
    5    0  1  0  0   -1  1  0  0    0  0  1  6
    6    1 -1  0  0    1  0  0  0    0  0  1  6
    7    0  1  0  0    1  0  0  0    0  0 -1  0
    8   -1  0  0  0   -1  1  0  0    0  0 -1  0
    9    1 -1  0  0    0 -1  0  0    0  0 -1  0
   10    0 -1  0  0   -1  0  0  0    0  0 -1  6
   11    1  0  0  0    1 -1  0  0    0  0 -1  6
   12   -1  1  0  0    0  1  0  0    0  0 -1  6

 ******************************************************************************
      MEAN DISCREPANCIES BETWEEN OBSERVED AND CALCULATED SPOT LOCATIONS
 ******************************************************************************

 The discrepancies in X- and Y-coordinates of the spots are depicted in the
 two images DX-CORRECTIONS.cbf and DY-CORRECTIONS.cbf for inspection with
 the XDS-Viewer.



 ******************************************************************************
  REFINEMENT OF DIFFRACTION PARAMETERS USING ALL IMAGES
 ******************************************************************************


 REFINED VALUES OF DIFFRACTION PARAMETERS DERIVED FROM    161343 INDEXED SPOTS
 REFINED PARAMETERS:   POSITION BEAM AXIS ORIENTATION CELL
 STANDARD DEVIATION OF SPOT    POSITION (PIXELS)     0.52
 STANDARD DEVIATION OF SPINDLE POSITION (DEGREES)    0.04
 SPACE GROUP NUMBER    182
 UNIT CELL PARAMETERS    161.201   161.201   139.463  90.000  90.000 120.000
 E.S.D. OF CELL PARAMETERS  2.1E-02 2.1E-02 2.2E-02 0.0E+00 0.0E+00 0.0E+00
 REC. CELL PARAMETERS   0.007163  0.007163  0.007170  90.000  90.000  60.000
 COORDINATES OF UNIT CELL A-AXIS  -159.653    15.940   -15.574
 COORDINATES OF UNIT CELL B-AXIS    89.319   -44.275  -126.679
 COORDINATES OF UNIT CELL C-AXIS   -16.787  -133.957    34.983
 CRYSTAL MOSAICITY (DEGREES)     0.121
 LAB COORDINATES OF ROTATION AXIS  1.000000  0.000152 -0.000304
 DIRECT BEAM COORDINATES (REC. ANGSTROEM)   0.001786 -0.000760  1.020927
 DETECTOR COORDINATES (PIXELS) OF DIRECT BEAM    1231.53   1264.79
 DETECTOR ORIGIN (PIXELS) AT                     1227.46   1266.52
 CRYSTAL TO DETECTOR DISTANCE (mm)       399.48
 LAB COORDINATES OF DETECTOR X-AXIS  1.000000  0.000000  0.000000
 LAB COORDINATES OF DETECTOR Y-AXIS  0.000000  1.000000  0.000000


 THE DATA COLLECTION STATISTICS REPORTED BELOW ASSUMES:
 SPACE_GROUP_NUMBER=  182
 UNIT_CELL_CONSTANTS=   161.20   161.20   139.46  90.000  90.000 120.000


 ******************************************************************************
        MEAN INTENSITY AS FUNCTION OF SPINDLE POSITION WITHIN DATA IMAGE
 ******************************************************************************

 This statistics could serve as a diagnostic tool for detecting
 shutter problems (suggested by Kay Diederichs).
 Data are corrected for this effect if PATCH_SHUTTER_PROBLEM=TRUE in XDS.INP.
 ===> Selected : PATCH_SHUTTER_PROBLEM=FALSE

 INTERVAL = Angular interval in units of the oscillation range
            covered by a data image.
 NUMBER   = Number of reflections in each interval
 INTENSITY= Mean intensity of the reflections in each interval
 FACTOR   = Correction factor applied to intensities;
            INTENSITY(overall)/INTENSITY(interval)

   INTERVAL     NUMBER      INTENSITY      FACTOR
 -0.05  0.05     56054        236.533       1.019
  0.05  0.15     56566        239.500       1.006
  0.15  0.25     56522        231.950       1.039
  0.25  0.35     56067        242.339       0.994
  0.35  0.45     55814        252.044       0.956
  0.45  0.55     56083        245.581       0.981
  0.55  0.65     56328        238.674       1.009
  0.65  0.75     55956        241.237       0.999
  0.75  0.85     56019        249.501       0.966
  0.85  0.95     55824        231.990       1.039
 
 -0.05  0.95    561233        240.924       1.000
 

 ******************************************************************************
           CORRECTION FACTORS AS FUNCTION OF IMAGE NUMBER & RESOLUTION
 ******************************************************************************

 RECIPROCAL CORRECTION FACTORS FOR INPUT DATA SETS MERGED TO
 OUTPUT FILE: XDS_ASCII.HKL                                     

 THE CALCULATIONS ASSUME         FRIEDEL'S_LAW= TRUE
 TOTAL NUMBER OF CORRECTION FACTORS DEFINED      220
 DEGREES OF FREEDOM OF CHI^2 FIT            149643.6
 CHI^2-VALUE OF FIT OF CORRECTION FACTORS      1.228
 NUMBER OF CYCLES CARRIED OUT                      3

 CORRECTION FACTORS for visual inspection by XDS-Viewer DECAY.cbf           
 XMIN=     0.5 XMAX=   356.5 NXBIN=   11
 YMIN= 0.00010 YMAX= 0.42177 NYBIN=   20
 NUMBER OF REFLECTIONS USED FOR DETERMINING CORRECTION FACTORS     178484


 ******************************************************************************
  CORRECTION FACTORS AS FUNCTION OF X (fast) & Y(slow) IN THE DETECTOR PLANE
 ******************************************************************************

 RECIPROCAL CORRECTION FACTORS FOR INPUT DATA SETS MERGED TO
 OUTPUT FILE: XDS_ASCII.HKL                                     

 THE CALCULATIONS ASSUME         FRIEDEL'S_LAW= TRUE
 TOTAL NUMBER OF CORRECTION FACTORS DEFINED     3599
 DEGREES OF FREEDOM OF CHI^2 FIT            149411.1
 CHI^2-VALUE OF FIT OF CORRECTION FACTORS      1.216
 NUMBER OF CYCLES CARRIED OUT                      3

 CORRECTION FACTORS for visual inspection by XDS-Viewer MODPIX.cbf          
 XMIN=     5.2 XMAX=  2457.9 NXBIN=   59
 YMIN=     4.7 YMAX=  2522.3 NYBIN=   61
 NUMBER OF REFLECTIONS USED FOR DETERMINING CORRECTION FACTORS     178484


 ******************************************************************************
   CORRECTION FACTORS AS FUNCTION OF IMAGE NUMBER & DETECTOR SURFACE POSITION
 ******************************************************************************

 RECIPROCAL CORRECTION FACTORS FOR INPUT DATA SETS MERGED TO
 OUTPUT FILE: XDS_ASCII.HKL                                     

 THE CALCULATIONS ASSUME         FRIEDEL'S_LAW= TRUE
 TOTAL NUMBER OF CORRECTION FACTORS DEFINED      143
 DEGREES OF FREEDOM OF CHI^2 FIT            149651.0
 CHI^2-VALUE OF FIT OF CORRECTION FACTORS      1.203
 NUMBER OF CYCLES CARRIED OUT                      3

 CORRECTION FACTORS for visual inspection by XDS-Viewer ABSORP.cbf          
 XMIN=     0.5 XMAX=   356.5 NXBIN=   11
 DETECTOR_SURFACE_POSITION=    1232    1264
 DETECTOR_SURFACE_POSITION=    1648    1691
 DETECTOR_SURFACE_POSITION=     815    1691
 DETECTOR_SURFACE_POSITION=     815     836
 DETECTOR_SURFACE_POSITION=    1648     836
 DETECTOR_SURFACE_POSITION=    2174    1664
 DETECTOR_SURFACE_POSITION=    1622    2231
 DETECTOR_SURFACE_POSITION=     841    2231
 DETECTOR_SURFACE_POSITION=     289    1664
 DETECTOR_SURFACE_POSITION=     289     863
 DETECTOR_SURFACE_POSITION=     841     296
 DETECTOR_SURFACE_POSITION=    1622     296
 DETECTOR_SURFACE_POSITION=    2174     863
 NUMBER OF REFLECTIONS USED FOR DETERMINING CORRECTION FACTORS     178484


 ******************************************************************************
    CORRECTION PARAMETERS FOR THE STANDARD ERROR OF REFLECTION INTENSITIES
 ******************************************************************************

 The variance v0(I) of the intensity I obtained from counting statistics is
 replaced by v(I)=a*(v0(I)+b*I^2). The model parameters a, b are chosen to
 minimize the discrepancies between v(I) and the variance estimated from
 sample statistics of symmetry related reflections. This model implicates
 an asymptotic limit ISa=1/SQRT(a*b) for the highest I/Sigma(I) that the
 experimental setup can produce (Diederichs (2010) Acta Cryst D66, 733-740).

     a        b          ISa
 9.323E-01  5.791E-04   43.04


 ******************************************************************************
      STANDARD ERROR OF REFLECTION INTENSITIES AS FUNCTION OF RESOLUTION
      FOR DATA SET  XDS_ASCII.HKL                                     
 ******************************************************************************

  I/Sigma  = mean intensity/Sigma of a reflection in shell
  Chi^2    = goodness of fit between sample variances of
             symmetry-related intensities and their errors
             (Chi^2 = 1 for perfect agreement)
  R-FACTOR
  observed = (SUM(ABS(I(h,i)-I(h))))/(SUM(I(h,i)))
  expected = expected R-FACTOR derived from Sigma(I)

   NUMBER  = number of reflections in resolution shell
             used for calculation of R-FACTOR
  ACCEPTED = number of accepted reflections
  REJECTED = number of rejected reflections (MISFITS),
             recognized by comparison with symmetry-related
             reflections.

 RESOLUTION RANGE  I/Sigma  Chi^2  R-FACTOR  R-FACTOR  NUMBER ACCEPTED REJECTED
                                   observed  expected

   98.665  15.216    38.23   0.97      1.46      1.72     940     958     101
   15.216  10.824    36.63   1.14      1.63      1.77    1714    1744     155
   10.824   8.855    37.57   1.18      1.62      1.76    1854    1890     150
    8.855   7.677    35.08   1.11      1.71      1.85    2463    2509     119
    7.677   6.870    33.00   1.24      1.98      1.95    2895    2949     151
    6.870   6.274    31.04   1.21      1.90      2.00    3357    3412     143
    6.274   5.810    29.43   1.24      2.13      2.07    3605    3667     150
    5.810   5.436    28.08   1.32      2.30      2.16    3734    3801     142
    5.436   5.126    30.18   1.28      2.11      2.03    3411    3485     121
    5.126   4.864    29.06   1.32      2.20      2.09    4077    4158     145
    4.864   4.638    29.64   1.28      2.10      2.05    4383    4451     202
    4.638   4.441    29.95   1.25      2.06      2.04    4614    4680     138
    4.441   4.267    30.17   1.23      1.95      2.02    5038    5117     131
    4.267   4.112    27.29   1.29      2.26      2.16    5259    5330     143
    4.112   3.973    27.02   1.23      2.08      2.14    5454    5543     137
    3.973   3.847    26.24   1.25      2.24      2.22    5649    5725     160
    3.847   3.732    25.11   1.26      2.34      2.29    5892    5981     108
    3.732   3.627    23.33   1.32      2.54      2.37    5002    5103     138
    3.627   3.531    22.36   1.30      2.71      2.46    5423    5513     134
    3.531   3.441    21.86   1.28      2.76      2.55    5870    5968     140
    3.441   3.359    20.07   1.28      3.00      2.74    6280    6365     144
    3.359   3.281    19.21   1.27      3.12      2.83    6395    6490     100
    3.281   3.209    16.84   1.26      3.66      3.29    6704    6798     100
    3.209   3.142    15.41   1.23      3.85      3.46    6703    6823      97
    3.142   3.078    14.85   1.24      4.23      3.74    7006    7112     116
    3.078   3.019    12.98   1.20      4.67      4.20    7171    7291      76
    3.019   2.962    12.52   1.20      4.77      4.27    7211    7336      76
    2.962   2.909    11.62   1.13      4.89      4.48    7511    7634      79
    2.909   2.858    10.28   1.10      5.57      5.24    7739    7829      54
    2.858   2.810     8.94   1.10      6.55      6.04    7221    7302      48
    2.810   2.765     8.08   1.10      7.09      6.56    6592    6694      43
    2.765   2.721     8.41   1.11      6.61      6.11    7464    7544      55
    2.721   2.680     7.45   1.06      7.70      7.32    4292    4356      24
    2.680   2.640     6.65   1.06      9.00      8.52    1238    1287      12
    2.640   2.602     6.86   1.03      7.96      7.66    8176    8257      35
    2.602   2.566     6.81   1.00      7.57      7.36    8281    8366      50
    2.566   2.531     5.79   0.99      9.40      9.27    8595    8677      36
    2.531   2.497     5.65   1.03      9.76      9.41    8700    8790      34
    2.497   2.465     5.62   0.99      9.22      9.02    8957    9047      34
    2.465   2.434     5.42   0.99      9.61      9.37    8941    9047      44
    2.434   2.404     4.63   0.96     11.54     11.56    8921    9018      27
    2.404   2.376     4.37   0.95     12.85     12.97    9315    9414      21
    2.376   2.348     4.18   0.91     12.55     12.93    9193    9299      33
    2.348   2.321     4.34   0.92     11.90     12.18    9499    9608      19
    2.321   2.295     3.38   0.94     16.10     16.28    8217    8326      23
    2.295   2.270     3.17   0.90     16.78     17.23    8450    8548      18
    2.270   2.246     2.83   0.86     19.33     20.43    5529    5627      10
    2.246   2.222     2.80   0.88     19.65     20.61    7399    7526      28
    2.222   2.199     2.95   0.88     18.44     19.36    9499    9606      31
    2.199   2.177     2.71   0.88     19.28     20.25    9751    9848      10
    2.177   2.156     2.48   0.89     22.78     23.96    9972   10071       8
    2.156   2.135     2.43   0.85     22.07     23.65   10149   10240      15
    2.135   2.115     2.18   0.84     24.54     26.44   10192   10276      16
    2.115   2.095     1.99   0.87     27.39     29.28   10418   10520       8
    2.095   2.076     1.90   0.84     27.91     30.34   10363   10449      10
    2.076   2.057     1.40   0.76     36.25     40.75    2943    3034       3
    2.057   2.039     1.75   0.83     31.28     33.91   10505   10600       4
    2.039   2.022     1.63   0.84     33.79     36.52   10833   10917      26
    2.022   2.004     1.64   0.84     33.00     35.77   10757   10856      21
    2.004   1.988     1.28   0.84     44.72     48.37   10550   10649      10
    1.988   1.971     1.24   0.80     42.85     47.35    9294    9392      12
    1.971   1.955     0.96   0.82     57.86     63.43    8417    8517       8
    1.955   1.940     0.83   0.77     65.69     74.55    8101    8185      14
    1.940   1.925     0.66   0.80     84.87     94.22    7590    7679      14
    1.925   1.910     0.71   0.86     81.03     87.49    7109    7209      83
    1.910   1.895     0.58   0.83     97.33    107.13    6696    6814       7
    1.895   1.881     0.46   0.80    120.26    133.78    6320    6456      13
    1.881   1.867     0.52   0.79    104.86    117.91    5898    6071       7
    1.867   1.854     0.43   0.78    127.61    143.78    5633    5825       4
    1.854   1.840     0.39   0.77    137.58    155.42    5500    5693       8
    1.840   1.827     0.30   0.78    178.70    200.44    5098    5304      27
    1.827   1.815     0.28   0.80    190.61    212.72    4916    5156       9
    1.815   1.802     0.29   0.78    186.06    209.51    4569    4810       5
    1.802   1.790     0.20   0.75    260.99    300.74    4299    4576      18
    1.790   1.778     0.23   0.75    228.54    264.39    4007    4333      10
    1.778   1.766     0.19   0.74    248.52    288.54    3795    4142       1
    1.766   1.755     0.21   0.76    234.99    269.72    3612    3993       5
    1.755   1.743     0.16   0.78    313.14    350.56    3376    3784       4
    1.743   1.732     0.22   0.77    293.41    335.32    3135    3573      15
    1.732   1.721     0.16   0.77    359.61    410.48    2954    3443      26
    1.721   1.711     0.14   0.70    308.91    368.28    2753    3282      11
    1.711   1.700     0.11   0.74    416.63    480.03    2488    3056       7
    1.700   1.690     0.10   0.74    409.08    474.86    2227    2839       3
    1.690   1.680     0.06   0.73    531.82    624.92    2025    2644       2
    1.680   1.670     0.10   0.75    374.64    433.06    1836    2506       3
    1.670   1.660     0.06   0.79    557.50    629.12    1572    2246       3
    1.660   1.651     0.06   0.71    458.66    539.78    1408    2086       6
    1.651   1.641     0.10   0.77    390.30    446.73    1258    1922       4
    1.641   1.632     0.10   0.73    358.27    420.24    1161    1775       6
    1.632   1.623     0.08   0.75    413.60    477.67    1079    1707       2
    1.623   1.614     0.05   0.69    595.52    708.82     893    1508       0
    1.614   1.605     0.05   0.71    525.94    637.69     796    1369       4
    1.605   1.597     0.10   0.86    424.97    441.02     661    1223       0
    1.597   1.588     0.04   0.64    510.47    638.01     514    1017       4
    1.588   1.580     0.05   0.78    406.10    457.31     391     846       2
    1.580   1.572     0.06   0.68    736.82    909.37     310     728       0
    1.572   1.563     0.01   0.64    586.36    733.27     191     544       0
    1.563   1.555     0.04   0.70    769.13    918.91      98     391       0
    1.555   1.548     0.01   0.74    317.65    339.57      52     247       0
    1.548   1.540     0.12   1.33    -99.90    -99.90      10      96       0
   --------------------------------------------------------------------------
   98.665   1.540     7.78   0.98      4.75      4.80  536308  556448    4753
 


 ******************************************************************************
  SUMMARY OF DATA SET STATISTICS FOR VARIOUS SUBSETS OF INCLUDED DATA IMAGES
 ******************************************************************************

 Data set statistics is reported below several times, each with a different
 upper limit on the number of images included. This provides the user with
 the information for deciding which data images should be excluded from the
 final data set because of radiation damage or other defects. If the user
 decides for a subset of "good" images that differs from the specification
 as given by the input parameter (see DATA_RANGE= in XDS.INP) the CORRECT-
 step of XDS must be repeated with the new parameter values for DATA_RANGE=.


 ******************************************************************************
  SUMMARY OF DATA SET STATISTICS FOR IMAGE   DATA_RANGE=       1      72
 ******************************************************************************


 AVERAGE INTENSITY FOR      25 REFLECTIONS WHICH SHOULD
 BE SYSTEMATICALLY ABSENT IS    58.6% OF MEAN INTENSITY


          COMPLETENESS AND QUALITY OF DATA SET
          ------------------------------------

 R-FACTOR
 observed = (SUM(ABS(I(h,i)-I(h))))/(SUM(I(h,i)))
 expected = expected R-FACTOR derived from Sigma(I)

 COMPARED = number of reflections used for calculating R-FACTOR
 I/SIGMA  = mean of intensity/Sigma(I) of unique reflections
            (after merging symmetry-related observations)
 Sigma(I) = standard deviation of reflection intensity I
            estimated from sample statistics

 R-meas   = redundancy independent R-factor (intensities)
            Diederichs & Karplus (1997), Nature Struct. Biol. 4, 269-275.

 CC(1/2)  = percentage of correlation between intensities from
            random half-datasets. Correlation significant at
            the 0.1% level is marked by an asterisk.
            Karplus & Diederichs (2012), Science 336, 1030-33
 Anomal   = percentage of correlation between random half-sets
  Corr      of anomalous intensity differences. Correlation
            significant at the 0.1% level is marked.
 SigAno   = mean anomalous difference in units of its estimated
            standard deviation (|F(+)-F(-)|/Sigma). F(+), F(-)
            are structure factor estimates obtained from the
            merged intensity observations in each parity class.
  Nano    = Number of unique reflections used to calculate
            Anomal_Corr & SigAno. At least two observations
            for each (+ and -) parity are required.


 SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION
 RESOLUTION     NUMBER OF REFLECTIONS    COMPLETENESS R-FACTOR  R-FACTOR COMPARED I/SIGMA   R-meas  CC(1/2)  Anomal  SigAno   Nano
   LIMIT     OBSERVED  UNIQUE  POSSIBLE     OF DATA   observed  expected                                      Corr

     4.61        6674    3047      6287       48.5%       1.6%      1.7%     5398   44.40      2.0%    99.9*    50*   1.491     244
     3.26       12517    5921     10869       54.5%       1.9%      1.9%     9989   35.62      2.3%    99.9*    29*   1.130     610
     2.67       15036    7232     13863       52.2%       3.4%      3.1%    11858   17.96      4.2%    99.8*    27*   1.144     865
     2.31       18916    8797     16289       54.0%       5.9%      5.7%    15005    8.87      7.2%    99.7*    15*   0.956    1341
     2.07       19624    9226     18368       50.2%      11.9%     12.2%    15644    4.46     14.5%    98.8*     8    0.849    1330
     1.89       19592    9693     20245       47.9%      24.9%     26.8%    15524    2.03     31.1%    95.6*     3    0.771     981
     1.75       11040    6511     21949       29.7%     116.5%    134.1%     8121    0.57    156.4%    50.2*   -13    0.520      67
     1.63        6059    4171     23535       17.7%     437.7%    503.4%     3589    0.16    604.7%     1.7    -12    0.574       4
     1.54        1978    1748     24996        7.0%    8878.1%  10647.6%      460    0.05  12555.6%    -1.2      0    0.000       0
    total      111436   56346    156401       36.0%       3.5%      3.5%    85588   10.99      4.2%    99.9*    14*   0.964    5442


 NUMBER OF REFLECTIONS IN SELECTED SUBSET OF IMAGES    112641
 NUMBER OF REJECTED MISFITS                              1175
 NUMBER OF SYSTEMATIC ABSENT REFLECTIONS                   25
 NUMBER OF ACCEPTED OBSERVATIONS                       111441
 NUMBER OF UNIQUE ACCEPTED REFLECTIONS                  56349



 ******************************************************************************
  SUMMARY OF DATA SET STATISTICS FOR IMAGE   DATA_RANGE=       1     143
 ******************************************************************************


 AVERAGE INTENSITY FOR      32 REFLECTIONS WHICH SHOULD
 BE SYSTEMATICALLY ABSENT IS    54.1% OF MEAN INTENSITY


          COMPLETENESS AND QUALITY OF DATA SET
          ------------------------------------

 R-FACTOR
 observed = (SUM(ABS(I(h,i)-I(h))))/(SUM(I(h,i)))
 expected = expected R-FACTOR derived from Sigma(I)

 COMPARED = number of reflections used for calculating R-FACTOR
 I/SIGMA  = mean of intensity/Sigma(I) of unique reflections
            (after merging symmetry-related observations)
 Sigma(I) = standard deviation of reflection intensity I
            estimated from sample statistics

 R-meas   = redundancy independent R-factor (intensities)
            Diederichs & Karplus (1997), Nature Struct. Biol. 4, 269-275.

 CC(1/2)  = percentage of correlation between intensities from
            random half-datasets. Correlation significant at
            the 0.1% level is marked by an asterisk.
            Karplus & Diederichs (2012), Science 336, 1030-33
 Anomal   = percentage of correlation between random half-sets
  Corr      of anomalous intensity differences. Correlation
            significant at the 0.1% level is marked.
 SigAno   = mean anomalous difference in units of its estimated
            standard deviation (|F(+)-F(-)|/Sigma). F(+), F(-)
            are structure factor estimates obtained from the
            merged intensity observations in each parity class.
  Nano    = Number of unique reflections used to calculate
            Anomal_Corr & SigAno. At least two observations
            for each (+ and -) parity are required.


 SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION
 RESOLUTION     NUMBER OF REFLECTIONS    COMPLETENESS R-FACTOR  R-FACTOR COMPARED I/SIGMA   R-meas  CC(1/2)  Anomal  SigAno   Nano
   LIMIT     OBSERVED  UNIQUE  POSSIBLE     OF DATA   observed  expected                                      Corr

     4.61       13327    3989      6287       63.4%       1.8%      1.8%    12519   54.51      2.0%   100.0*    51*   1.434     896
     3.26       25019    7576     10869       69.7%       2.1%      2.1%    23505   43.19      2.4%   100.0*    24*   1.146    2127
     2.67       30033    9172     13863       66.2%       4.0%      3.5%    28092   21.33      4.5%    99.9*    20*   1.098    2706
     2.31       37818   11413     16289       70.1%       7.2%      6.8%    35592   10.03      8.2%    99.7*    13*   0.948    3302
     2.07       39180   12249     18368       66.7%      14.9%     15.3%    36745    4.79     17.2%    98.7*     5    0.817    3676
     1.89       38979   13269     20245       65.5%      31.1%     33.4%    36312    2.14     36.7%    94.9*     0    0.735    3305
     1.75       22028   10648     21949       48.5%     119.0%    135.0%    18262    0.57    151.1%    58.7*    -4    0.597     586
     1.63       12018    7493     23535       31.8%     419.1%    483.6%     8005    0.16    559.3%     4.8     26    0.609      23
     1.54        3958    3207     24996       12.8%     678.0%    801.0%     1479    0.06    952.4%     0.9      0    0.000       0
    total      222360   79016    156401       50.5%       3.9%      3.9%   200511   12.01      4.5%   100.0*    11*   0.940   16621


 NUMBER OF REFLECTIONS IN SELECTED SUBSET OF IMAGES    224627
 NUMBER OF REJECTED MISFITS                              2226
 NUMBER OF SYSTEMATIC ABSENT REFLECTIONS                   32
 NUMBER OF ACCEPTED OBSERVATIONS                       222369
 NUMBER OF UNIQUE ACCEPTED REFLECTIONS                  79020



 ******************************************************************************
  SUMMARY OF DATA SET STATISTICS FOR IMAGE   DATA_RANGE=       1     215
 ******************************************************************************


 AVERAGE INTENSITY FOR      32 REFLECTIONS WHICH SHOULD
 BE SYSTEMATICALLY ABSENT IS    58.5% OF MEAN INTENSITY


          COMPLETENESS AND QUALITY OF DATA SET
          ------------------------------------

 R-FACTOR
 observed = (SUM(ABS(I(h,i)-I(h))))/(SUM(I(h,i)))
 expected = expected R-FACTOR derived from Sigma(I)

 COMPARED = number of reflections used for calculating R-FACTOR
 I/SIGMA  = mean of intensity/Sigma(I) of unique reflections
            (after merging symmetry-related observations)
 Sigma(I) = standard deviation of reflection intensity I
            estimated from sample statistics

 R-meas   = redundancy independent R-factor (intensities)
            Diederichs & Karplus (1997), Nature Struct. Biol. 4, 269-275.

 CC(1/2)  = percentage of correlation between intensities from
            random half-datasets. Correlation significant at
            the 0.1% level is marked by an asterisk.
            Karplus & Diederichs (2012), Science 336, 1030-33
 Anomal   = percentage of correlation between random half-sets
  Corr      of anomalous intensity differences. Correlation
            significant at the 0.1% level is marked.
 SigAno   = mean anomalous difference in units of its estimated
            standard deviation (|F(+)-F(-)|/Sigma). F(+), F(-)
            are structure factor estimates obtained from the
            merged intensity observations in each parity class.
  Nano    = Number of unique reflections used to calculate
            Anomal_Corr & SigAno. At least two observations
            for each (+ and -) parity are required.


 SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION
 RESOLUTION     NUMBER OF REFLECTIONS    COMPLETENESS R-FACTOR  R-FACTOR COMPARED I/SIGMA   R-meas  CC(1/2)  Anomal  SigAno   Nano
   LIMIT     OBSERVED  UNIQUE  POSSIBLE     OF DATA   observed  expected                                      Corr

     4.61       20158    4636      6287       73.7%       1.8%      1.9%    19597   62.07      2.0%   100.0*    50*   1.493    1672
     3.26       37796    8570     10869       78.8%       2.2%      2.2%    36841   49.08      2.4%   100.0*    26*   1.184    3610
     2.67       45340   10344     13863       74.6%       4.3%      3.9%    44187   23.47      4.7%    99.9*    18*   1.068    4611
     2.31       57020   12804     16289       78.6%       8.1%      7.9%    55545   10.77      9.0%    99.8*    11*   0.908    5813
     2.07       59021   13743     18368       74.8%      16.8%     17.5%    57500    5.12     18.7%    98.9*     4    0.784    6227
     1.89       58745   15349     20245       75.8%      35.2%     38.1%    56026    2.21     39.8%    95.6*    -1    0.690    6620
     1.75       33217   12525     21949       57.1%     131.9%    149.5%    30419    0.58    160.4%    61.0*    -2    0.606    2248
     1.63       18141    9632     23535       40.9%     362.1%    421.6%    15075    0.16    483.7%    10.7*     2    0.550     226
     1.54        5955    4584     24996       18.3%     433.6%    502.7%     2719    0.07    610.9%     3.8      0    0.000       0
    total      335393   92187    156401       58.9%       4.2%      4.2%   317909   13.04      4.7%   100.0*    10    0.900   31027


 NUMBER OF REFLECTIONS IN SELECTED SUBSET OF IMAGES    338558
 NUMBER OF REJECTED MISFITS                              3111
 NUMBER OF SYSTEMATIC ABSENT REFLECTIONS                   32
 NUMBER OF ACCEPTED OBSERVATIONS                       335415
 NUMBER OF UNIQUE ACCEPTED REFLECTIONS                  92194



 ******************************************************************************
  SUMMARY OF DATA SET STATISTICS FOR IMAGE   DATA_RANGE=       1     286
 ******************************************************************************


 AVERAGE INTENSITY FOR      32 REFLECTIONS WHICH SHOULD
 BE SYSTEMATICALLY ABSENT IS    61.1% OF MEAN INTENSITY


          COMPLETENESS AND QUALITY OF DATA SET
          ------------------------------------

 R-FACTOR
 observed = (SUM(ABS(I(h,i)-I(h))))/(SUM(I(h,i)))
 expected = expected R-FACTOR derived from Sigma(I)

 COMPARED = number of reflections used for calculating R-FACTOR
 I/SIGMA  = mean of intensity/Sigma(I) of unique reflections
            (after merging symmetry-related observations)
 Sigma(I) = standard deviation of reflection intensity I
            estimated from sample statistics

 R-meas   = redundancy independent R-factor (intensities)
            Diederichs & Karplus (1997), Nature Struct. Biol. 4, 269-275.

 CC(1/2)  = percentage of correlation between intensities from
            random half-datasets. Correlation significant at
            the 0.1% level is marked by an asterisk.
            Karplus & Diederichs (2012), Science 336, 1030-33
 Anomal   = percentage of correlation between random half-sets
  Corr      of anomalous intensity differences. Correlation
            significant at the 0.1% level is marked.
 SigAno   = mean anomalous difference in units of its estimated
            standard deviation (|F(+)-F(-)|/Sigma). F(+), F(-)
            are structure factor estimates obtained from the
            merged intensity observations in each parity class.
  Nano    = Number of unique reflections used to calculate
            Anomal_Corr & SigAno. At least two observations
            for each (+ and -) parity are required.


 SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION
 RESOLUTION     NUMBER OF REFLECTIONS    COMPLETENESS R-FACTOR  R-FACTOR COMPARED I/SIGMA   R-meas  CC(1/2)  Anomal  SigAno   Nano
   LIMIT     OBSERVED  UNIQUE  POSSIBLE     OF DATA   observed  expected                                      Corr

     4.61       26899    5226      6287       83.1%       1.9%      1.9%    26297   67.33      2.1%   100.0*    52*   1.542    2305
     3.26       50330    9510     10869       87.5%       2.3%      2.2%    49267   52.67      2.5%   100.0*    25*   1.215    4809
     2.67       60378   11388     13863       82.1%       4.6%      4.2%    59007   24.53      5.0%    99.9*    19*   1.054    6243
     2.31       75937   14091     16289       86.5%       9.0%      8.9%    74443   11.00      9.8%    99.8*    10*   0.886    7731
     2.07       78585   15043     18368       81.9%      18.9%     19.9%    77078    5.20     20.7%    99.1*     3    0.757    8291
     1.89       78216   16677     20245       82.4%      40.4%     44.1%    75989    2.24     44.7%    95.9*     1    0.673    9081
     1.75       44152   14214     21949       64.8%     147.8%    167.2%    42320    0.59    176.1%    59.1*    -2    0.594    4190
     1.63       24118   12610     23535       53.6%     360.5%    420.3%    19187    0.16    467.1%    12.7*    -6    0.552     504
     1.54        7930    5890     24996       23.6%     472.1%    546.5%     3917    0.06    655.3%     4.6      0    0.000       0
    total      446545  104649    156401       66.9%       4.5%      4.5%   427505   13.51      4.9%   100.0*     9    0.880   43154


 NUMBER OF REFLECTIONS IN SELECTED SUBSET OF IMAGES    450540
 NUMBER OF REJECTED MISFITS                              3934
 NUMBER OF SYSTEMATIC ABSENT REFLECTIONS                   32
 NUMBER OF ACCEPTED OBSERVATIONS                       446574
 NUMBER OF UNIQUE ACCEPTED REFLECTIONS                 104658



 ******************************************************************************
  STATISTICS OF SAVED DATA SET "XDS_ASCII.HKL" (DATA_RANGE=       1     357)
 FILE TYPE:         XDS_ASCII      MERGE=FALSE          FRIEDEL'S_LAW=TRUE 
 ******************************************************************************

   REFLECTIONS OF TYPE H,0,0  0,K,0  0,0,L OR EXPECTED TO BE ABSENT (*)
   --------------------------------------------------------------------

   H    K    L  RESOLUTION  INTENSITY     SIGMA    INTENSITY/SIGMA  #OBSERVED

    0    0    2    69.732  -0.6902E-01  0.2126E+00        -0.32           1 
    0    0    3    46.488   0.3463E+00  0.5594E+00         0.62           1*
    0    0    4    34.866   0.2984E+04  0.6993E+02        42.68           1 
    0    0    5    27.893  -0.2559E-02  0.1141E+01        -0.00           1*
    0    0    6    23.244   0.3202E+02  0.2024E+01        15.82           1 
    0    0    7    19.923   0.1838E+00  0.1633E+01         0.11           1*
    0    0    8    17.433   0.3790E+05  0.8818E+03        42.98           1 
    0    0    9    15.496   0.3076E+04  0.7281E+02        42.24           1*
    0    0   10    13.946   0.1549E+02  0.2603E+01         5.95           1 
    0    0   11    12.678   0.3202E+01  0.2525E+01         1.27           1*
    0    0   12    11.622   0.9153E+04  0.2144E+03        42.68           1 
    0    0   14     9.962   0.3357E+02  0.4001E+01         8.39           1 
    0    0   15     9.298  -0.1030E+01  0.3594E+01        -0.29           1*
    0    0   16     8.716   0.1238E+06  0.2879E+04        43.00           1 
    0    0   17     8.204  -0.1309E+01  0.3960E+01        -0.33           1*
    0    0   18     7.748   0.6831E+02  0.5404E+01        12.64           1 
    0    0   19     7.340   0.2549E+01  0.4235E+01         0.60           1*
    0    0   20     6.973   0.1166E+05  0.2739E+03        42.58           1 
    0    0   21     6.641  -0.6513E+01  0.4452E+01        -1.46           1*
    0    0   22     6.339   0.5310E+02  0.5895E+01         9.01           1 
    0    0   23     6.064   0.5179E+01  0.5221E+01         0.99           1*
    0    0   24     5.811   0.6506E+05  0.1515E+04        42.93           1 
    0    0   25     5.579   0.1835E+01  0.5364E+01         0.34           1*
    0    0   27     5.165   0.4492E+01  0.5749E+01         0.78           1*
    0    0   28     4.981   0.3341E+05  0.7804E+03        42.81           1 
    0    0   29     4.809  -0.7417E+00  0.6764E+01        -0.11           1*
    0    0   30     4.649   0.5357E+02  0.7913E+01         6.77           1 
    0    0   31     4.499   0.2640E+01  0.7266E+01         0.36           1*
    0    0   32     4.358   0.8949E+05  0.2084E+04        42.94           1 
    0    0   33     4.226   0.8519E+01  0.8046E+01         1.06           1*
    0    0   34     4.102   0.4363E+02  0.8852E+01         4.93           1 
    0    0   35     3.985  -0.7663E+01  0.8769E+01        -0.87           1*
    0    0   36     3.874   0.2683E+05  0.6288E+03        42.67           1 
    0    0   37     3.769   0.3144E+01  0.9596E+01         0.33           1*
    0    0   39     3.576  -0.4016E+01  0.1068E+02        -0.38           1*
    0    0   40     3.487   0.4079E+05  0.9539E+03        42.76           1 
    0    0   41     3.402   0.1968E+00  0.1053E+02         0.02           1*
    0    0   42     3.321   0.3499E+03  0.1704E+02        20.54           1 
    0    0   43     3.243   0.2461E+01  0.1094E+02         0.23           1*
    0    0   44     3.170   0.2932E+05  0.6881E+03        42.61           1 
    0    0   45     3.099  -0.1205E+02  0.1062E+02        -1.13           1*
    0    0   46     3.032   0.1934E+03  0.1438E+02        13.45           1 
    0    0   47     2.967  -0.2418E+01  0.1043E+02        -0.23           1*
    0    0   48     2.905   0.7995E+04  0.1934E+03        41.34           1 
    0    0   49     2.846   0.7755E+01  0.1061E+02         0.73           1*
    0    0   51     2.735  -0.1419E+02  0.1025E+02        -1.38           1*
    0    0   53     2.631  -0.2510E+01  0.1068E+02        -0.24           1*
    0    0   54     2.583   0.3406E+02  0.1121E+02         3.04           1 
    0    0   55     2.536  -0.5606E+01  0.1030E+02        -0.54           1*
    0    0   56     2.490   0.4587E+03  0.2068E+02        22.18           1 
    0    0   57     2.447  -0.2389E+01  0.9879E+01        -0.24           1*
    0    0   58     2.405   0.1884E+03  0.1477E+02        12.76           1 
    0    0   59     2.364  -0.1236E+01  0.1062E+02        -0.12           1*
    0    0   60     2.324   0.4587E+03  0.2148E+02        21.35           1 
    0    0   63     2.214  -0.6564E+01  0.1103E+02        -0.60           1*
    0    0   64     2.179   0.2244E+03  0.1693E+02        13.25           1 
    0    0   65     2.146  -0.5892E+01  0.1119E+02        -0.53           1*
    0    0   66     2.113   0.1271E+01  0.1185E+02         0.11           1 
    0    0   67     2.082  -0.3134E+01  0.1178E+02        -0.27           1*
    0    0   68     2.051   0.3961E+02  0.1240E+02         3.19           1 
    0    0   69     2.021   0.1308E+01  0.1171E+02         0.11           1*
    0    0   70     1.992   0.2062E+02  0.1234E+02         1.67           1 
   71    0    0     1.966   0.1296E+02  0.9294E+01         1.39           1 
   72    0    0     1.939   0.8068E+01  0.9143E+01         0.88           1 
   73    0    0     1.912  -0.4518E+01  0.9009E+01        -0.50           1 
   74    0    0     1.887  -0.1347E+02  0.8624E+01        -1.56           1 
   75    0    0     1.861   0.4277E+01  0.8793E+01         0.49           1 
   76    0    0     1.837   0.4289E+01  0.8778E+01         0.49           1 
   77    0    0     1.813  -0.8257E+01  0.8663E+01        -0.95           1 

 AVERAGE INTENSITY FOR      32 REFLECTIONS WHICH SHOULD
 BE SYSTEMATICALLY ABSENT IS    64.0% OF MEAN INTENSITY


          COMPLETENESS AND QUALITY OF DATA SET
          ------------------------------------

 R-FACTOR
 observed = (SUM(ABS(I(h,i)-I(h))))/(SUM(I(h,i)))
 expected = expected R-FACTOR derived from Sigma(I)

 COMPARED = number of reflections used for calculating R-FACTOR
 I/SIGMA  = mean of intensity/Sigma(I) of unique reflections
            (after merging symmetry-related observations)
 Sigma(I) = standard deviation of reflection intensity I
            estimated from sample statistics

 R-meas   = redundancy independent R-factor (intensities)
            Diederichs & Karplus (1997), Nature Struct. Biol. 4, 269-275.

 CC(1/2)  = percentage of correlation between intensities from
            random half-datasets. Correlation significant at
            the 0.1% level is marked by an asterisk.
            Karplus & Diederichs (2012), Science 336, 1030-33
 Anomal   = percentage of correlation between random half-sets
  Corr      of anomalous intensity differences. Correlation
            significant at the 0.1% level is marked.
 SigAno   = mean anomalous difference in units of its estimated
            standard deviation (|F(+)-F(-)|/Sigma). F(+), F(-)
            are structure factor estimates obtained from the
            merged intensity observations in each parity class.
  Nano    = Number of unique reflections used to calculate
            Anomal_Corr & SigAno. At least two observations
            for each (+ and -) parity are required.


 SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION
 RESOLUTION     NUMBER OF REFLECTIONS    COMPLETENESS R-FACTOR  R-FACTOR COMPARED I/SIGMA   R-meas  CC(1/2)  Anomal  SigAno   Nano
   LIMIT     OBSERVED  UNIQUE  POSSIBLE     OF DATA   observed  expected                                      Corr

     4.61       33535    5676      6287       90.3%       1.9%      2.0%    32937   72.18      2.1%   100.0*    51*   1.574    2855
     3.26       62750   10186     10869       93.7%       2.4%      2.3%    61798   55.94      2.6%   100.0*    27*   1.238    6004
     2.67       75268   12143     13863       87.6%       5.0%      4.5%    74183   25.38      5.3%    99.9*    17*   1.041    7566
     2.31       94635   14823     16289       91.0%      10.1%     10.0%    93599   11.26     10.8%    99.8*     9    0.861    9532
     2.07       97880   15806     18368       86.1%      21.4%     22.7%    96801    5.28     23.1%    99.2*     4    0.742   10271
     1.89       97440   17690     20245       87.4%      46.2%     50.7%    96317    2.25     50.6%    96.0*     0    0.649   11400
     1.75       54997   17174     21949       78.2%     164.3%    185.8%    52062    0.51    193.3%    57.0*     0    0.583    5841
     1.63       30057   15282     23535       64.9%     376.8%    436.5%    23474    0.15    476.9%    12.0*    -2    0.554    1052
     1.54        9863    7044     24996       28.2%     496.8%    579.5%     5119    0.06    671.8%     5.0     13    0.448      24
    total      556425  115824    156401       74.1%       4.7%      4.8%   536290   13.72      5.2%   100.0*     9    0.862   54545


 NUMBER OF REFLECTIONS IN SELECTED SUBSET OF IMAGES    561233
 NUMBER OF REJECTED MISFITS                              4753
 NUMBER OF SYSTEMATIC ABSENT REFLECTIONS                   32
 NUMBER OF ACCEPTED OBSERVATIONS                       556448
 NUMBER OF UNIQUE ACCEPTED REFLECTIONS                 115834



 ******************************************************************************
    WILSON STATISTICS OF DATA SET  "XDS_ASCII.HKL"
 ******************************************************************************

 Data is divided into resolution shells and a straight line 
 A - 2*B*SS is fitted to log<I>, where
   RES    = mean resolution (Angstrom) in shell
   SS     = mean of (sin(THETA)/LAMBDA)**2 in shell
   <I>    = mean reflection intensity in shell
   BO     = (A - log<I>)/(2*SS)
    #     = number of reflections in resolution shell

   WILSON LINE (using all data) : A=   7.388 B=  36.367 CORRELATION=  0.93
      #      RES      SS        <I>       log(<I>)       BO
    1892     8.717   0.003  1.4270E+03       7.263      18.9
    3338     5.431   0.008  7.3877E+02       6.605      46.2
    4311     4.229   0.014  8.9966E+02       6.802      20.9
    5090     3.581   0.019  5.8361E+02       6.369      26.1
    5764     3.161   0.025  2.6929E+02       5.596      35.8
    6348     2.860   0.031  1.3259E+02       4.887      40.9
    5276     2.619   0.036  8.1555E+01       4.401      41.0
    7384     2.450   0.042  5.6088E+01       4.027      40.3
    7050     2.307   0.047  3.9579E+01       3.678      39.5
    8207     2.177   0.053  2.6676E+01       3.284      38.9
    7560     2.071   0.058  1.7797E+01       2.879      38.7
    8585     1.979   0.064  1.2344E+01       2.513      38.2
    8263     1.898   0.069  6.4998E+00       1.872      39.8
    8202     1.827   0.075  3.5733E+00       1.273      40.8
    7961     1.763   0.080  6.8731E+01       4.230      19.6
    7676     1.705   0.086  2.2794E+01       3.126      24.8
    6494     1.654   0.091  8.3913E-01      -0.175      41.4
    4594     1.607   0.097  6.3283E-01      -0.458      40.5
    1829     1.567   0.102  5.1655E-01      -0.661      39.5


 HIGHER ORDER MOMENTS OF WILSON DISTRIBUTION OF  CENTRIC DATA
    AS COMPARED WITH THEORETICAL VALUES. (EXPECTED: 1.00)    
      #      RES        <I**2>/      <I**3>/      <I**4>/  
                         3<I>**2     15<I>**3    105<I>**4 

     493     8.717        1.424        1.742        2.053
     525     5.431        1.069        1.269        1.634
     541     4.229        2.894        9.167       31.320
     534     3.581        3.084        5.751        9.754
     538     3.161        3.101        7.066       14.149
     549     2.860        7.021       45.424      324.017
     427     2.619        6.165       23.218       79.359
     558     2.450        9.741       59.065      327.125
     504     2.307        6.667       29.370      123.435
     548     2.177        4.472       13.335       36.726
     513     2.071        5.787       24.862       98.896
     542     1.979        6.441       22.127       65.978
     445     1.898        3.658        8.498       18.931
     377     1.827        7.890       54.600      438.629
     317     1.763       96.320     4158.292   128962.097
     248     1.705        0.049        0.003        0.001
     154     1.654       43.495       72.169      568.042
      96     1.607       79.424        1.406     1197.161
      29     1.567      170.864     1081.687     6979.082
    7938   overall       10.678      190.626     5297.851


 HIGHER ORDER MOMENTS OF WILSON DISTRIBUTION OF ACENTRIC DATA
    AS COMPARED WITH THEORETICAL VALUES. (EXPECTED: 1.00)    
      #      RES        <I**2>/      <I**3>/      <I**4>/  
                         2<I>**2      6<I>**3     24<I>**4 

    1399     8.717        1.081        1.507        2.472
    2813     5.431        1.158        1.888        4.940
    3770     4.229        1.178        1.885        3.622
    4556     3.581        1.312        2.416        5.350
    5226     3.161        1.637        3.953       11.304
    5799     2.860        1.776        4.506       11.943
    4849     2.619        2.483       11.441       66.274
    6826     2.450        2.619       10.997       49.481
    6546     2.307        3.082       19.520      184.283
    7659     2.177        3.080       14.359       72.624
    7047     2.071        3.452       18.970      115.655
    8043     1.979        3.796       33.794      502.527
    7818     1.898        3.631       22.130      233.394
    7825     1.827        4.901       18.674       98.482
    7644     1.763     1627.636  1949174.561*************
    7428     1.705     2685.702  5439958.994*************
    6340     1.654       49.524       66.183     1412.676
    4498     1.607       92.743      105.271     4697.390
    1800     1.567      148.962      166.611    11213.300
  107886   overall      311.622   512669.522706442587.570

   ======= CUMULATIVE INTENSITY DISTRIBUTION =======
 DEFINITIONS:
   <I>    = mean reflection intensity
 Na(Z)exp = expected number of acentric reflections with I <= Z*<I>
 Na(Z)obs = observed number of acentric reflections with I <= Z*<I>
 Nc(Z)exp = expected number of  centric reflections with I <= Z*<I>
 Nc(Z)obs = observed number of  centric reflections with I <= Z*<I>



 Nc(Z)obs/Nc(Z)exp versus resolution and Z (0.1-1.0)
      #      RES     0.1   0.2   0.3   0.4   0.5   0.6   0.7   0.8   0.9   1.0

     493     8.717  1.00  0.97  0.97  0.96  0.93  0.96  0.98  0.98  0.99  0.98
     525     5.431  0.96  1.00  1.01  1.01  1.00  1.00  1.01  1.01  1.01  1.01
     541     4.229  0.87  0.90  0.94  0.91  0.91  0.93  0.93  0.92  0.94  0.94
     534     3.581  1.01  1.02  1.00  1.01  1.00  1.00  0.98  0.99  0.97  0.97
     538     3.161  1.14  1.09  1.06  1.08  1.09  1.06  1.03  1.00  1.00  0.98
     549     2.860  1.14  1.10  1.06  1.04  1.04  1.03  1.03  1.00  0.99  0.98
     427     2.619  1.27  1.27  1.24  1.16  1.14  1.11  1.08  1.05  1.03  1.02
     558     2.450  1.27  1.30  1.21  1.21  1.17  1.12  1.09  1.05  1.04  1.02
     504     2.307  1.10  1.08  1.14  1.10  1.05  1.07  1.04  1.03  1.03  1.01
     548     2.177  1.29  1.19  1.13  1.14  1.14  1.12  1.09  1.07  1.06  1.05
     513     2.071  1.26  1.18  1.11  1.15  1.13  1.11  1.08  1.07  1.07  1.07
     542     1.979  1.52  1.23  1.12  1.12  1.10  1.09  1.12  1.10  1.08  1.07
     445     1.898  1.42  1.14  0.98  0.90  0.88  0.86  0.86  0.86  0.90  0.91
     377     1.827  1.56  1.22  1.04  0.98  0.94  0.89  0.88  0.86  0.84  0.85
     317     1.763  2.95  2.58  2.28  2.05  1.88  1.75  1.65  1.58  1.51  1.46
     248     1.705  2.09  1.76  1.72  1.71  1.63  1.59  1.57  1.54  1.51  1.46
     154     1.654  2.07  1.50  1.28  1.13  1.02  0.95  0.89  0.86  0.83  0.81
      96     1.607  1.85  1.33  1.10  0.97  0.90  0.84  0.79  0.75  0.71  0.69
      29     1.567  1.67  1.20  0.99  0.87  0.79  0.74  0.69  0.66  0.63  0.61
    7938   overall  1.32  1.21  1.14  1.12  1.09  1.07  1.05  1.04  1.03  1.02


 Na(Z)obs/Na(Z)exp versus resolution and Z (0.1-1.0)
      #      RES     0.1   0.2   0.3   0.4   0.5   0.6   0.7   0.8   0.9   1.0

    1399     8.717  1.16  1.17  1.18  1.17  1.17  1.13  1.12  1.12  1.09  1.08
    2813     5.431  1.07  1.01  1.06  1.04  1.02  1.03  1.03  1.03  1.03  1.04
    3770     4.229  1.33  1.36  1.31  1.26  1.20  1.17  1.13  1.11  1.11  1.08
    4556     3.581  1.67  1.53  1.46  1.37  1.32  1.27  1.22  1.19  1.16  1.13
    5226     3.161  1.71  1.60  1.52  1.45  1.38  1.32  1.28  1.23  1.19  1.16
    5799     2.860  2.16  1.92  1.73  1.61  1.50  1.41  1.34  1.29  1.24  1.20
    4849     2.619  2.48  2.20  1.95  1.75  1.60  1.48  1.39  1.32  1.27  1.22
    6826     2.450  2.62  2.23  1.99  1.79  1.66  1.54  1.44  1.37  1.30  1.25
    6546     2.307  2.89  2.32  2.05  1.83  1.67  1.55  1.45  1.38  1.31  1.26
    7659     2.177  2.87  2.24  2.00  1.80  1.65  1.54  1.45  1.36  1.30  1.25
    7047     2.071  3.09  2.17  1.89  1.73  1.61  1.51  1.42  1.36  1.31  1.25
    8043     1.979  3.46  2.22  1.84  1.66  1.53  1.45  1.38  1.32  1.27  1.23
    7818     1.898  3.63  2.13  1.65  1.43  1.30  1.21  1.16  1.11  1.09  1.08
    7825     1.827  4.17  2.32  1.72  1.43  1.25  1.14  1.06  1.01  0.97  0.95
    7644     1.763  8.26  5.17  3.78  3.01  2.53  2.21  1.98  1.81  1.68  1.58
    7428     1.705  6.08  3.85  3.07  2.63  2.33  2.10  1.92  1.78  1.67  1.57
    6340     1.654  4.87  2.59  1.83  1.45  1.23  1.08  0.98  0.90  0.85  0.80
    4498     1.607  4.94  2.62  1.84  1.45  1.23  1.08  0.97  0.89  0.83  0.79
    1800     1.567  5.09  2.69  1.89  1.48  1.25  1.10  0.98  0.90  0.84  0.79
  107886   overall  3.62  2.44  2.00  1.74  1.57  1.45  1.36  1.28  1.23  1.18


 List of    500 reflections *NOT* obeying Wilson distribution (Z> 10.0)

   h    k    l     RES      Z     Intensity    Sigma

   83  -36   36    1.73 6224.96  0.1419E+06  0.3307E+04 "alien"
   83  -37   36    1.73 3928.52  0.2700E+06  0.6285E+04 "alien"
   84  -38   34    1.74 3063.52  0.2106E+06  0.4903E+04 "alien"
   88  -40   26    1.73 1071.34  0.2442E+05  0.5769E+03 "alien"
   84  -37   34    1.73  246.86  0.1697E+05  0.4039E+03 "alien"
   23   -6   66    2.02   93.61  0.1156E+04  0.1125E+02 "alien"
   16   -2   71    1.92   73.17  0.4756E+03  0.1394E+02 "alien"
    8   -2   59    2.35   65.98  0.2611E+04  0.2129E+02 "alien"
   81  -27   32    1.78   61.20  0.4206E+04  0.1069E+03 "alien"
   79   -4   46    1.55   59.76  0.3087E+02  0.1159E+02 "alien"
   94  -39   31    1.60   58.87  0.3725E+02  0.1151E+02 "alien"
   85  -10   33    1.60   58.17  0.3681E+02  0.1185E+02 "alien"
   57   -3   70    1.56   55.59  0.2871E+02  0.1175E+02 "alien"
   97  -38   30    1.55   53.69  0.2773E+02  0.1153E+02 "alien"
   17   -7   71    1.92   50.28  0.3268E+03  0.1441E+02 "alien"
   79  -29   57    1.56   49.49  0.2556E+02  0.1156E+02 "alien"
   60   -7   68    1.57   48.26  0.2493E+02  0.1128E+02 "alien"
   53  -12   73    1.60   47.93  0.3033E+02  0.1203E+02 "alien"
    7   -1   70    1.98   47.81  0.5902E+03  0.1009E+02 "alien"
   82   -4   34    1.60   47.75  0.3022E+02  0.1202E+02 "alien"
   62  -21   68    1.60   47.42  0.3001E+02  0.1092E+02 "alien"
   74   -7   54    1.57   47.20  0.2438E+02  0.1228E+02 "alien"
   78  -18   54    1.57   46.89  0.2422E+02  0.1130E+02 "alien"
   62  -12   68    1.57   46.81  0.2418E+02  0.1111E+02 "alien"
   92  -32   39    1.55   46.75  0.2415E+02  0.1206E+02 "alien"
   97  -21   15    1.56   46.60  0.2407E+02  0.1119E+02 "alien"
   55  -21   74    1.58   46.09  0.2381E+02  0.1157E+02 "alien"
   86  -13   31    1.62   45.80  0.2899E+02  0.1168E+02 "alien"
   85  -28   48    1.57   45.73  0.2362E+02  0.1155E+02 "alien"
   26   -6   72    1.84   45.33  0.1620E+03  0.1583E+02 "alien"
   82   -3   40    1.55   44.74  0.2311E+02  0.1172E+02 "alien"
   77   -6   48    1.58   44.33  0.2290E+02  0.1223E+02 "alien"
   91  -13   27    1.56   43.88  0.2267E+02  0.1173E+02 "alien"
   12   -3   66    2.09   43.81  0.7796E+03  0.8690E+01 "alien"
   91  -35   38    1.58   43.77  0.2770E+02  0.1170E+02 "alien"
   92  -35   37    1.58   43.70  0.2257E+02  0.1136E+02 "alien"
   81  -24   53    1.56   43.70  0.2257E+02  0.1089E+02 "alien"
   61   -7   68    1.56   43.54  0.2249E+02  0.1123E+02 "alien"
   84  -26   51    1.55   43.52  0.2248E+02  0.1110E+02 "alien"
   58  -20   74    1.55   43.21  0.2232E+02  0.1165E+02 "alien"
   82   -5   35    1.60   43.06  0.2725E+02  0.1191E+02 "alien"
   51  -25   74    1.62   42.88  0.2714E+02  0.1144E+02 "alien"
   10   -3   53    2.60   42.67  0.3480E+04  0.2585E+02 "alien"
   89  -33   39    1.60   42.35  0.2680E+02  0.1128E+02 "alien"
   89  -30   44    1.55   42.01  0.2170E+02  0.1109E+02 "alien"
   53  -24   74    1.60   41.51  0.2627E+02  0.1123E+02 "alien"
   60  -24   73    1.55   41.42  0.2139E+02  0.1096E+02 "alien"
   57   -7   70    1.58   41.30  0.2133E+02  0.1104E+02 "alien"
   77  -16   54    1.57   41.28  0.2132E+02  0.1089E+02 "alien"
   61  -11   68    1.58   41.15  0.2125E+02  0.1064E+02 "alien"
   83   -4   32    1.60   41.13  0.2603E+02  0.1153E+02 "alien"
   81   -6   36    1.62   41.07  0.2599E+02  0.1175E+02 "alien"
   89  -30   42    1.57   40.93  0.2114E+02  0.1131E+02 "alien"
   56   -8   71    1.58   40.79  0.2107E+02  0.1139E+02 "alien"
   75   -6   53    1.56   40.69  0.2102E+02  0.1205E+02 "alien"
   84  -25   50    1.55   40.39  0.2086E+02  0.1180E+02 "alien"
   83   -8   36    1.60   40.08  0.2536E+02  0.1202E+02 "alien"
   71   -8   54    1.62   40.03  0.2533E+02  0.1172E+02 "alien"
   58   -1   67    1.58   39.81  0.2057E+02  0.7936E+01 "alien"
   16   -3   59    2.29   39.81  0.1576E+04  0.1917E+02 "alien"
   96  -21   18    1.56   39.46  0.2038E+02  0.1232E+02 "alien"
   96  -37   23    1.61   39.43  0.2495E+02  0.1103E+02 "alien"
   79  -11   50    1.56   39.21  0.2025E+02  0.1183E+02 "alien"
   81   -3   34    1.61   39.09  0.2474E+02  0.1160E+02 "alien"
   79  -31   56    1.57   38.94  0.2012E+02  0.1164E+02 "alien"
   85  -27   48    1.56   38.90  0.2009E+02  0.1128E+02 "alien"
   96  -19   14    1.57   38.74  0.2001E+02  0.1165E+02 "alien"
   95  -37   27    1.60   38.72  0.2450E+02  0.1127E+02 "alien"
   89  -14   30    1.58   38.66  0.2447E+02  0.1164E+02 "alien"
   85  -30   42    1.63   38.56  0.3236E+02  0.1114E+02 "alien"
   14   -1   69    1.98   38.50  0.4753E+03  0.9013E+01 "alien"
   16   -4   64    2.13   38.49  0.1027E+04  0.1028E+02 "alien"
   91  -43   27    1.67   38.25  0.3210E+02  0.1155E+02 "alien"
   92  -18   13    1.63   38.18  0.3204E+02  0.1129E+02 "alien"
   56   -4   71    1.56   38.03  0.1964E+02  0.1112E+02 "alien"
   51   -7   71    1.63   38.01  0.3189E+02  0.1142E+02 "alien"
   93  -23   21    1.61   37.83  0.2394E+02  0.1150E+02 "alien"
   79  -36   53    1.61   37.58  0.2378E+02  0.1111E+02 "alien"
   82   -4   39    1.57   37.58  0.1941E+02  0.1151E+02 "alien"
   96  -19   18    1.55   37.39  0.1932E+02  0.1136E+02 "alien"
   92  -34   36    1.58   37.37  0.1930E+02  0.1146E+02 "alien"
   81  -10   40    1.62   37.32  0.2361E+02  0.1264E+02 "alien"
   59   -3   68    1.57   37.30  0.1927E+02  0.1126E+02 "alien"
   86  -15   27    1.66   37.19  0.3121E+02  0.1141E+02 "alien"
   52  -12   72    1.62   37.17  0.2352E+02  0.1131E+02 "alien"
   98  -25    7    1.58   37.16  0.1919E+02  0.1167E+02 "alien"
   21  -10   72    1.88   36.91  0.2399E+03  0.1289E+02 "alien"
   84  -26   43    1.62   36.68  0.2321E+02  0.1072E+02 "alien"
   90  -35   39    1.59   36.66  0.2320E+02  0.1109E+02 "alien"
   95  -37   23    1.62   36.63  0.2318E+02  0.1139E+02 "alien"
   79  -17   53    1.56   36.62  0.1892E+02  0.1079E+02 "alien"
   85  -25   43    1.60   36.60  0.2316E+02  0.1055E+02 "alien"
   70   -7   54    1.62   36.54  0.2312E+02  0.1189E+02 "alien"
   88  -29   40    1.60   36.53  0.2312E+02  0.1103E+02 "alien"
   91  -43   29    1.66   36.46  0.3059E+02  0.1123E+02 "alien"
   48   -7   72    1.64   36.38  0.3053E+02  0.1114E+02 "alien"
   62   -8   68    1.56   36.31  0.1876E+02  0.1132E+02 "alien"
    3   -1   66    2.11   36.30  0.6459E+03  0.7809E+01 "alien"
   87  -26   38    1.62   36.13  0.2286E+02  0.1062E+02 "alien"
   30   -3   57    2.19   36.08  0.9626E+03  0.1011E+02 "alien"
   18   -3   64    2.11   36.07  0.6420E+03  0.7751E+01 "alien"
   59  -29   74    1.55   36.06  0.1863E+02  0.7675E+01 "alien"
   79  -30   52    1.61   35.84  0.2268E+02  0.1102E+02 "alien"
   89  -29   36    1.61   35.73  0.2261E+02  0.1082E+02 "alien"
   92  -15   20    1.59   35.72  0.2261E+02  0.1165E+02 "alien"
   96  -39   23    1.61   35.68  0.2258E+02  0.1127E+02 "alien"
   13   -5   66    2.08   35.65  0.6344E+03  0.7738E+01 "alien"
   15   -7   69    1.99   35.60  0.4395E+03  0.1048E+02 "alien"
   73  -30   58    1.62   35.55  0.2250E+02  0.7961E+01 "alien"
   79  -30   51    1.63   35.54  0.2249E+02  0.1092E+02 "alien"
   86  -29   45    1.58   35.52  0.2248E+02  0.1093E+02 "alien"
   89  -34   42    1.58   35.47  0.1832E+02  0.1164E+02 "alien"
   73   -6   53    1.59   35.41  0.2241E+02  0.1154E+02 "alien"
   94  -19   21    1.58   35.41  0.1829E+02  0.1163E+02 "alien"
   57   -4   69    1.58   35.39  0.1828E+02  0.1109E+02 "alien"
   84   -6   34    1.59   35.35  0.2237E+02  0.1187E+02 "alien"
   78  -18   55    1.56   35.30  0.1823E+02  0.1106E+02 "alien"
   11   -1   59    2.33   35.21  0.1393E+04  0.1237E+02 "alien"
   18   -2   67    2.02   35.17  0.4342E+03  0.7228E+01 "alien"
   52  -13   71    1.64   35.13  0.2948E+02  0.8247E+01 "alien"
   58  -25   73    1.57   35.13  0.1815E+02  0.7688E+01 "alien"
   84   -7   38    1.56   35.11  0.1814E+02  0.1179E+02 "alien"
   98  -36   21    1.58   35.07  0.1812E+02  0.1091E+02 "alien"
   83   -4   28    1.63   35.03  0.2217E+02  0.1158E+02 "alien"
   97  -22   16    1.56   34.99  0.1808E+02  0.1202E+02 "alien"
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   92  -18   18    1.62   34.69  0.2195E+02  0.1124E+02 "alien"
   87  -28   44    1.57   34.65  0.1790E+02  0.1096E+02 "alien"
   70  -15   62    1.57   34.59  0.1787E+02  0.1094E+02 "alien"
   54  -26   73    1.61   34.57  0.2188E+02  0.7939E+01 "alien"
   82  -23   46    1.61   34.56  0.2187E+02  0.1091E+02 "alien"
    7   -2   66    2.10   34.54  0.6147E+03  0.7652E+01 "alien"
   18   -4   67    2.02   34.50  0.4259E+03  0.6552E+01 "alien"
   58  -28   73    1.57   34.49  0.1782E+02  0.7783E+01 "alien"
   81  -28   48    1.62   34.44  0.2179E+02  0.1087E+02 "alien"
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   60  -15   70    1.58   34.03  0.1758E+02  0.1089E+02 "alien"
   84  -25   47    1.58   33.89  0.1750E+02  0.1103E+02 "alien"
   82   -8   39    1.60   33.86  0.2143E+02  0.1230E+02 "alien"
   78  -32   51    1.64   33.82  0.2838E+02  0.1110E+02 "alien"
   96  -23   12    1.59   33.73  0.2135E+02  0.1153E+02 "alien"
   11   -2   55    2.49   33.64  0.1887E+04  0.1603E+02 "alien"
   47  -19   73    1.67   33.60  0.2819E+02  0.8088E+01 "alien"
   60  -17   71    1.57   33.58  0.1735E+02  0.1113E+02 "alien"
   89  -15   28    1.60   33.54  0.2122E+02  0.1149E+02 "alien"
   95  -35   24    1.61   33.47  0.2118E+02  0.1063E+02 "alien"
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   64   -5   62    1.60   33.38  0.2113E+02  0.1023E+02 "alien"
   76  -20   58    1.56   33.31  0.1721E+02  0.8237E+01 "alien"
   88  -10   34    1.55   33.31  0.1721E+02  0.1212E+02 "alien"
   72  -17   60    1.58   33.26  0.1718E+02  0.1133E+02 "alien"
   93  -22   18    1.62   33.20  0.2101E+02  0.1117E+02 "alien"
   74  -36   59    1.60   33.18  0.2100E+02  0.8043E+01 "alien"
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   67  -22   60    1.66   32.68  0.2742E+02  0.8418E+01 "alien"
   73   -7   48    1.65   32.67  0.2742E+02  0.1139E+02 "alien"
   99  -38   26    1.55   32.65  0.1687E+02  0.1164E+02 "alien"
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   87  -14   24    1.65   32.50  0.2728E+02  0.1141E+02 "alien"
   88  -35   41    1.60   32.41  0.2051E+02  0.1085E+02 "alien"
   78  -24   52    1.61   32.40  0.2050E+02  0.7612E+01 "alien"
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   70  -20   60    1.61   32.37  0.2048E+02  0.1202E+02 "alien"
   26   -7   72    1.84   32.29  0.1154E+03  0.1097E+02 "alien"
   47  -10   72    1.66   32.28  0.2708E+02  0.1147E+02 "alien"
   54  -11   73    1.58   32.26  0.2042E+02  0.1109E+02 "alien"
   93  -36   35    1.58   32.25  0.1666E+02  0.1100E+02 "alien"
   77  -10   47    1.61   32.24  0.2040E+02  0.1127E+02 "alien"
   79  -24   55    1.57   32.22  0.1664E+02  0.1157E+02 "alien"
   90  -16   11    1.66   32.00  0.2685E+02  0.1074E+02 "alien"
   52  -12   71    1.64   31.96  0.2682E+02  0.8514E+01 "alien"
   73   -8   55    1.58   31.87  0.1646E+02  0.1200E+02 "alien"
   90  -16   20    1.63   31.83  0.2671E+02  0.1154E+02 "alien"
   89  -13    9    1.67   31.82  0.2670E+02  0.1040E+02 "alien"
   91  -18   20    1.63   31.71  0.2007E+02  0.1135E+02 "alien"
   94  -38   31    1.59   31.66  0.2004E+02  0.1117E+02 "alien"
   86  -13   33    1.61   31.65  0.2003E+02  0.1176E+02 "alien"
   61  -16   70    1.57   31.63  0.1634E+02  0.1096E+02 "alien"
   99  -40   21    1.57   31.62  0.1633E+02  0.1079E+02 "alien"
   93  -22   12    1.64   31.60  0.2652E+02  0.1137E+02 "alien"
   27  -12   72    1.84   31.57  0.1128E+03  0.1050E+02 "alien"
   64   -7   65    1.57   31.55  0.1630E+02  0.7584E+01 "alien"
   76   -9   50    1.59   31.47  0.1991E+02  0.1168E+02 "alien"
   89  -30   39    1.59   31.46  0.1991E+02  0.1087E+02 "alien"
   81  -20   40    1.68   31.39  0.2634E+02  0.1021E+02 "alien"
   52  -11   72    1.62   31.38  0.1986E+02  0.1106E+02 "alien"
   84  -35   44    1.64   31.37  0.2632E+02  0.1139E+02 "alien"
   73   -5   48    1.63   31.29  0.2626E+02  0.1132E+02 "alien"
   59  -22   69    1.62   31.28  0.1980E+02  0.7899E+01 "alien"
   11   -3   54    2.54   31.27  0.2550E+04  0.2056E+02 "alien"
   82   -7   36    1.61   31.26  0.1978E+02  0.1169E+02 "alien"
   15   -3   62    2.20   31.26  0.8338E+03  0.9758E+01 "alien"
   81  -22   52    1.56   31.22  0.1612E+02  0.1080E+02 "alien"
   93  -24   19    1.63   31.20  0.2618E+02  0.1144E+02 "alien"
   52   -5   70    1.63   31.14  0.1971E+02  0.1096E+02 "alien"
   61  -24   68    1.62   31.14  0.1970E+02  0.7703E+01 "alien"
   55  -23   74    1.58   31.09  0.1968E+02  0.1115E+02 "alien"
   61  -23   71    1.57   31.04  0.1603E+02  0.1072E+02 "alien"
   50  -20   74    1.62   30.97  0.1960E+02  0.1217E+02 "alien"
   87  -26   39    1.61   30.90  0.1955E+02  0.1058E+02 "alien"
   51  -13   73    1.62   30.89  0.1955E+02  0.1151E+02 "alien"
   77  -37   59    1.57   30.79  0.1591E+02  0.7940E+01 "alien"
   78  -29   56    1.58   30.75  0.1588E+02  0.8037E+01 "alien"
   70  -13   63    1.55   30.73  0.1588E+02  0.1083E+02 "alien"
   17   -6   59    2.29   30.64  0.1213E+04  0.1574E+02 "alien"
   89  -18   24    1.64   30.64  0.2571E+02  0.1143E+02 "alien"
   85  -28   45    1.60   30.63  0.1938E+02  0.1081E+02 "alien"
   79  -13   46    1.61   30.55  0.1933E+02  0.1118E+02 "alien"
   88  -19   30    1.63   30.51  0.2560E+02  0.1173E+02 "alien"
   90  -30   37    1.59   30.48  0.1929E+02  0.1098E+02 "alien"
   94  -20   14    1.61   30.47  0.1928E+02  0.1091E+02 "alien"
   82  -33   46    1.64   30.39  0.2550E+02  0.1116E+02 "alien"
   72  -11   56    1.60   30.38  0.1923E+02  0.1232E+02 "alien"
   95  -40   27    1.61   30.33  0.1919E+02  0.1096E+02 "alien"
   97  -22    7    1.58   30.31  0.1566E+02  0.1104E+02 "alien"
    9   -2   56    2.46   30.24  0.1696E+04  0.1420E+02 "alien"
   71  -28   60    1.62   30.24  0.1913E+02  0.8209E+01 "alien"
   49   -3   71    1.63   30.23  0.2537E+02  0.1111E+02 "alien"
   91  -28   26    1.65   30.19  0.2533E+02  0.1186E+02 "alien"
   84  -33   46    1.61   30.16  0.1909E+02  0.1214E+02 "alien"
   71  -13   61    1.56   30.11  0.1555E+02  0.1036E+02 "alien"
   60  -20   73    1.55   30.06  0.1553E+02  0.1101E+02 "alien"
   93  -37   28    1.63   30.00  0.1898E+02  0.1074E+02 "alien"
   92  -44   27    1.66   29.96  0.2514E+02  0.1150E+02 "alien"
   87  -13   32    1.60   29.95  0.1895E+02  0.1172E+02 "alien"
   78  -30   58    1.56   29.90  0.1544E+02  0.1153E+02 "alien"
   87  -10   28    1.60   29.78  0.1885E+02  0.1144E+02 "alien"
   77  -22   58    1.55   29.78  0.1538E+02  0.1148E+02 "alien"
   60  -11   70    1.56   29.75  0.1536E+02  0.1084E+02 "alien"
   83  -28   45    1.63   29.71  0.1880E+02  0.1072E+02 "alien"
   84  -34   40    1.67   29.69  0.2491E+02  0.1071E+02 "alien"
   54  -16   71    1.63   29.68  0.1878E+02  0.8382E+01 "alien"
   52  -14   73    1.61   29.67  0.1878E+02  0.1175E+02 "alien"
   71   -5   55    1.59   29.67  0.1878E+02  0.1169E+02 "alien"
   85  -15   29    1.67   29.60  0.2484E+02  0.1145E+02 "alien"
   67   -9   63    1.57   29.56  0.1527E+02  0.1009E+02 "alien"
   56   -7   72    1.56   29.53  0.1525E+02  0.1106E+02 "alien"
   83  -24   49    1.57   29.52  0.1525E+02  0.1092E+02 "alien"
   82   -9   36    1.63   29.50  0.1867E+02  0.1220E+02 "alien"
   79  -31   57    1.56   29.43  0.1520E+02  0.1158E+02 "alien"
   94  -35   32    1.58   29.41  0.1519E+02  0.1139E+02 "alien"
   92  -20   12    1.65   29.38  0.2466E+02  0.1148E+02 "alien"
   61   -1   63    1.60   29.36  0.1858E+02  0.1045E+02 "alien"
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   77  -15   54    1.57   29.33  0.1515E+02  0.1125E+02 "alien"
   84   -7   36    1.58   29.33  0.1515E+02  0.1179E+02 "alien"
   12   -2   66    2.08   29.28  0.5210E+03  0.7073E+01 "alien"
   86  -27   44    1.59   29.27  0.1852E+02  0.1098E+02 "alien"
   65   -8   60    1.63   29.24  0.1850E+02  0.1017E+02 "alien"
   75  -18   59    1.55   29.20  0.1508E+02  0.1089E+02 "alien"
   95  -32   19    1.63   29.18  0.1847E+02  0.1030E+02 "alien"
   79   -7   44    1.59   29.17  0.1846E+02  0.1138E+02 "alien"
   13   -1   68    2.02   29.15  0.3599E+03  0.6091E+01 "alien"
   93  -22   13    1.64   29.13  0.2445E+02  0.1114E+02 "alien"
   90  -12   27    1.57   29.04  0.1500E+02  0.1135E+02 "alien"
   57   -8   72    1.56   29.03  0.1500E+02  0.1130E+02 "alien"
   65   -9   62    1.60   28.98  0.1834E+02  0.1058E+02 "alien"
   17   -3   57    2.36   28.96  0.1146E+04  0.1059E+02 "alien"
   96  -40   27    1.59   28.95  0.1832E+02  0.1110E+02 "alien"
   40  -10   66    1.85   28.93  0.1034E+03  0.7133E+01 "alien"
   89  -31   42    1.57   28.92  0.1494E+02  0.1054E+02 "alien"
   94  -34   26    1.61   28.85  0.1826E+02  0.1080E+02 "alien"
   50  -22   72    1.66   28.85  0.2421E+02  0.8006E+01 "alien"
   86  -17   33    1.63   28.83  0.2419E+02  0.1159E+02 "alien"
   80  -21   50    1.59   28.79  0.1822E+02  0.1061E+02 "alien"
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   60  -25   72    1.57   28.71  0.1483E+02  0.1082E+02 "alien"
   93  -17   17    1.60   28.69  0.1816E+02  0.1158E+02 "alien"
   77  -17   55    1.57   28.67  0.1481E+02  0.1112E+02 "alien"
   78  -23   56    1.56   28.66  0.1481E+02  0.1132E+02 "alien"
   81  -27   51    1.59   28.66  0.1814E+02  0.1113E+02 "alien"
   96  -37   28    1.58   28.66  0.1480E+02  0.1075E+02 "alien"
   92  -18   24    1.59   28.65  0.1813E+02  0.1164E+02 "alien"
   92  -16   26    1.57   28.60  0.1477E+02  0.1127E+02 "alien"
   90  -13   18    1.62   28.60  0.1810E+02  0.1088E+02 "alien"
   56  -12   70    1.61   28.57  0.1808E+02  0.7629E+01 "alien"
   51  -17   72    1.64   28.57  0.2397E+02  0.8136E+01 "alien"
   93  -35   35    1.58   28.57  0.1476E+02  0.1132E+02 "alien"
   79  -27   55    1.57   28.54  0.1474E+02  0.1130E+02 "alien"
   63   -6   66    1.56   28.53  0.1474E+02  0.7564E+01 "alien"
   87  -26   36    1.64   28.50  0.2392E+02  0.1082E+02 "alien"
   59  -27   71    1.59   28.47  0.1802E+02  0.7672E+01 "alien"
   95  -19   12    1.59   28.44  0.1800E+02  0.1093E+02 "alien"
   80   -9   36    1.66   28.40  0.2383E+02  0.1180E+02 "alien"
   92  -15   15    1.61   28.40  0.1797E+02  0.1110E+02 "alien"
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   73   -8   53    1.60   28.37  0.1795E+02  0.1148E+02 "alien"
   57   -8   70    1.58   28.33  0.1793E+02  0.7942E+01 "alien"
   62  -17   68    1.59   28.33  0.1793E+02  0.1071E+02 "alien"
   97  -21   12    1.57   28.29  0.1461E+02  0.1113E+02 "alien"
   78  -36   59    1.55   28.29  0.1461E+02  0.8155E+01 "alien"
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   96  -36   31    1.56   28.27  0.1460E+02  0.1070E+02 "alien"
   86  -18   30    1.66   28.27  0.2372E+02  0.1146E+02 "alien"
   57   -2   69    1.57   28.15  0.1454E+02  0.8037E+01 "alien"
   73  -35   60    1.60   28.11  0.1779E+02  0.8078E+01 "alien"
   96  -21   11    1.58   28.09  0.1778E+02  0.1149E+02 "alien"
   94  -22   20    1.60   28.05  0.1775E+02  0.1145E+02 "alien"
   85  -14   33    1.63   28.05  0.2353E+02  0.1188E+02 "alien"
   76  -32   56    1.61   28.02  0.1773E+02  0.8045E+01 "alien"
    6   -1   56    2.48   28.02  0.1572E+04  0.1335E+02 "alien"
   88  -30   44    1.57   28.02  0.1448E+02  0.1140E+02 "alien"
   90  -18   22    1.64   28.02  0.2351E+02  0.1106E+02 "alien"
   74  -34   60    1.59   28.00  0.1772E+02  0.8165E+01 "alien"
   90  -20   27    1.62   27.99  0.1771E+02  0.1131E+02 "alien"
   97  -39   26    1.58   27.96  0.1444E+02  0.1092E+02 "alien"
   76   -6   50    1.57   27.88  0.1440E+02  0.1147E+02 "alien"
   80  -40   41    1.73   27.87  0.1579E+05  0.3769E+03 "alien"
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   81  -23   49    1.60   27.83  0.1761E+02  0.1066E+02 "alien"
   80   -2   40    1.58   27.83  0.1438E+02  0.1130E+02 "alien"
   55   -3   69    1.60   27.75  0.1756E+02  0.8258E+01 "alien"
   29  -11   71    1.85   27.73  0.9910E+02  0.1012E+02 "alien"
   57  -12   71    1.58   27.72  0.1754E+02  0.7813E+01 "alien"
   92  -17   24    1.58   27.70  0.1753E+02  0.1150E+02 "alien"
   78   -7   45    1.60   27.66  0.1751E+02  0.1145E+02 "alien"
   74   -6   52    1.58   27.66  0.1750E+02  0.1132E+02 "alien"
   88  -14   30    1.60   27.64  0.1749E+02  0.1146E+02 "alien"
   48   -2   69    1.67   27.63  0.2319E+02  0.8040E+01 "alien"
   91  -16   18    1.62   27.63  0.1748E+02  0.1138E+02 "alien"
   45   -2   71    1.67   27.58  0.2314E+02  0.1078E+02 "alien"
   90  -12   28    1.57   27.56  0.1424E+02  0.1180E+02 "alien"
   75   -7   50    1.60   27.47  0.1738E+02  0.8101E+01 "alien"
   58  -20   72    1.58   27.43  0.1417E+02  0.7659E+01 "alien"
   64  -13   64    1.61   27.37  0.1732E+02  0.1023E+02 "alien"
   86  -30   43    1.60   27.36  0.1731E+02  0.1070E+02 "alien"
   91  -34   36    1.60   27.35  0.1731E+02  0.1099E+02 "alien"
   73  -11   56    1.58   27.33  0.1412E+02  0.1181E+02 "alien"
   49  -13   73    1.64   27.31  0.2292E+02  0.1182E+02 "alien"
   59   -3   67    1.58   27.26  0.1408E+02  0.7879E+01 "alien"
   77   -7   47    1.60   27.19  0.1721E+02  0.1163E+02 "alien"
   61  -18   70    1.57   27.19  0.1405E+02  0.1132E+02 "alien"
   50  -11   72    1.64   27.19  0.2282E+02  0.1158E+02 "alien"
   90  -39   35    1.63   27.18  0.2281E+02  0.1146E+02 "alien"
   87  -30   44    1.58   27.17  0.1404E+02  0.1084E+02 "alien"
   79   -1   37    1.61   27.17  0.1719E+02  0.7884E+01 "alien"
   90  -18   20    1.64   27.17  0.2280E+02  0.1163E+02 "alien"
   58  -18   69    1.62   27.13  0.1717E+02  0.8193E+01 "alien"
   98  -25   10    1.57   27.11  0.1400E+02  0.1163E+02 "alien"
   79  -37   52    1.62   27.09  0.1714E+02  0.1105E+02 "alien"
   58  -24   71    1.60   27.08  0.1714E+02  0.7761E+01 "alien"
   77  -28   58    1.57   27.04  0.1397E+02  0.8133E+01 "alien"
   90  -33   37    1.60   26.99  0.1708E+02  0.1095E+02 "alien"
   84  -21   35    1.67   26.98  0.2264E+02  0.1015E+02 "alien"
   84   -5   37    1.56   26.97  0.1393E+02  0.1187E+02 "alien"
   53  -15   72    1.62   26.94  0.1705E+02  0.7910E+01 "alien"
   95  -38   23    1.62   26.92  0.1703E+02  0.1057E+02 "alien"
   84  -26   47    1.58   26.88  0.1701E+02  0.1111E+02 "alien"
   92  -15   23    1.58   26.85  0.1387E+02  0.1181E+02 "alien"
   83  -16   34    1.67   26.85  0.2253E+02  0.1155E+02 "alien"
   91  -13   29    1.55   26.82  0.1385E+02  0.1169E+02 "alien"
   83   -7   32    1.62   26.80  0.1696E+02  0.1160E+02 "alien"
   94  -23    8    1.64   26.80  0.2249E+02  0.1084E+02 "alien"
   48   -5   72    1.64   26.78  0.2247E+02  0.1138E+02 "alien"
   92  -20   20    1.62   26.78  0.1695E+02  0.1123E+02 "alien"
   67  -12   64    1.57   26.77  0.1383E+02  0.1063E+02 "alien"
   59  -21   68    1.63   26.74  0.2244E+02  0.7896E+01 "alien"
   88  -11   33    1.56   26.71  0.1380E+02  0.1151E+02 "alien"
   60   -2   59    1.67   26.70  0.2240E+02  0.1025E+02 "alien"
   82   -7   31    1.65   26.69  0.2239E+02  0.1138E+02 "alien"
   82  -41   32    1.79   26.66  0.1354E+05  0.3241E+03 "alien"
   54   -8   72    1.59   26.66  0.1687E+02  0.1080E+02 "alien"
   53  -21   73    1.61   26.62  0.1685E+02  0.7915E+01 "alien"
   77  -29   60    1.55   26.61  0.1374E+02  0.1133E+02 "alien"
   79   -2   40    1.59   26.59  0.1682E+02  0.7848E+01 "alien"
   61  -21   69    1.60   26.55  0.1680E+02  0.1074E+02 "alien"
   82  -20   41    1.65   26.52  0.2225E+02  0.1045E+02 "alien"
   57  -23   69    1.64   26.52  0.2225E+02  0.7762E+01 "alien"
   83   -5   33    1.60   26.49  0.1677E+02  0.1161E+02 "alien"
   54   -8   71    1.60   26.46  0.1675E+02  0.1076E+02 "alien"
   79   -6   46    1.57   26.45  0.1366E+02  0.1113E+02 "alien"
   59   -7   62    1.67   26.44  0.2218E+02  0.6360E+01 "alien"
   60  -29   72    1.57   26.40  0.1364E+02  0.7812E+01 "alien"
   51  -10   71    1.64   26.39  0.2215E+02  0.8332E+01 "alien"
   49  -14   73    1.64   26.39  0.2215E+02  0.1142E+02 "alien"
   55  -12   69    1.64   26.38  0.2213E+02  0.7800E+01 "alien"
   82  -11   36    1.64   26.36  0.2212E+02  0.1137E+02 "alien"
   57  -13   72    1.57   26.31  0.1359E+02  0.1113E+02 "alien"
   69  -11   61    1.58   26.24  0.1355E+02  0.1047E+02 "alien"
   23  -10   56    2.35   26.23  0.1038E+04  0.9864E+01 "alien"
   54  -14   70    1.64   26.22  0.2200E+02  0.7895E+01 "alien"
   36  -14   59    2.09   26.16  0.4655E+03  0.6725E+01 "alien"
   55   -3   64    1.67   26.11  0.2191E+02  0.6334E+01 "alien"
   72  -18   60    1.58   26.09  0.1348E+02  0.1113E+02 "alien"
   25   -4   69    1.92   26.03  0.1692E+03  0.8114E+01 "alien"
   56  -25   73    1.59   26.01  0.1646E+02  0.7763E+01 "alien"
   95  -36   26    1.60   25.99  0.1645E+02  0.1119E+02 "alien"
   91  -18    8    1.66   25.99  0.2181E+02  0.1054E+02 "alien"
   99  -38   21    1.57   25.97  0.1342E+02  0.1057E+02 "alien"
   14   -3   66    2.07   25.96  0.4621E+03  0.2605E+02 "alien"
   79   -4   45    1.56   25.96  0.1341E+02  0.1142E+02 "alien"
   13   -1   70    1.96   25.95  0.3203E+03  0.1039E+02 "alien"
   52  -13   72    1.62   25.90  0.1639E+02  0.7987E+01 "alien"
   71  -14   59    1.59   25.88  0.1638E+02  0.1058E+02 "alien"
   60  -25   65    1.67   25.85  0.2169E+02  0.1124E+02 "alien"
   31  -13   72    1.81   25.82  0.9225E+02  0.9834E+01 "alien"
   28   -5   72    1.82   25.81  0.9223E+02  0.1390E+02 "alien"
   15   -7   70    1.96   25.80  0.3185E+03  0.9011E+01 "alien"
   77  -24   59    1.55   25.77  0.1331E+02  0.1141E+02 "alien"
   74  -13   55    1.59   25.73  0.1628E+02  0.1191E+02 "alien"
   67  -11   62    1.59   25.70  0.1626E+02  0.1033E+02 "alien"
   95  -21   20    1.57   25.70  0.1327E+02  0.1143E+02 "alien"
   96  -36   26    1.59   25.68  0.1625E+02  0.1077E+02 "alien"
   48   -6   72    1.64   25.65  0.2153E+02  0.1127E+02 "alien"
   87  -34   41    1.62   25.64  0.1622E+02  0.1108E+02 "alien"
   85  -32   39    1.66   25.64  0.2151E+02  0.1106E+02 "alien"
   82   -6   31    1.64   25.62  0.2150E+02  0.1134E+02 "alien"
   93  -35   36    1.57   25.61  0.1323E+02  0.1147E+02 "alien"
   27   -3   72    1.83   25.52  0.9120E+02  0.1519E+02 "alien"
   92  -20   10    1.65   25.51  0.2141E+02  0.1095E+02 "alien"
   89  -22   25    1.66   25.50  0.2140E+02  0.1133E+02 "alien"
   67  -31   61    1.66   25.47  0.2137E+02  0.8164E+01 "alien"
   78  -22   55    1.57   25.47  0.1315E+02  0.7879E+01 "alien"
   83   -6   38    1.57   25.46  0.1315E+02  0.1166E+02 "alien"
   97  -39   23    1.59   25.45  0.1611E+02  0.1133E+02 "alien"
   60   -9   67    1.60   25.42  0.1609E+02  0.1087E+02 "alien"
   81   -2   34    1.61   25.42  0.1609E+02  0.1141E+02 "alien"
   85  -30   39    1.66   25.37  0.2129E+02  0.1088E+02 "alien"
   89  -16   23    1.64   25.35  0.2127E+02  0.1172E+02 "alien"
   89  -36   39    1.61   25.35  0.1604E+02  0.1107E+02 "alien"
   82  -24   52    1.56   25.29  0.1306E+02  0.1092E+02 "alien"
   13   -4   62    2.21   25.29  0.6745E+03  0.8588E+01 "alien"
   85  -24   39    1.64   25.27  0.2121E+02  0.1038E+02 "alien"
   93  -33   30    1.60   25.23  0.1596E+02  0.1088E+02 "alien"
   88  -33   42    1.59   25.21  0.1596E+02  0.1105E+02 "alien"
   89  -14   27    1.60   25.19  0.1594E+02  0.1109E+02 "alien"
   85  -12   30    1.64   25.18  0.2113E+02  0.1134E+02 "alien"
   98  -40   25    1.57   25.16  0.1300E+02  0.1093E+02 "alien"
   92  -16   19    1.60   25.14  0.1591E+02  0.1187E+02 "alien"
   79  -28   51    1.62   25.13  0.1590E+02  0.7895E+01 "alien"
   84   -8   35    1.59   25.12  0.1590E+02  0.1188E+02 "alien"
   96  -36   34    1.54   25.11  0.1297E+02  0.1140E+02 "alien"
   74  -30   60    1.58   25.11  0.1589E+02  0.1151E+02 "alien"
   20   -7   66    2.04   25.11  0.4469E+03  0.6902E+01 "alien"
   65   -6   60    1.61   25.11  0.1589E+02  0.1022E+02 "alien"
   59  -17   72    1.56   25.10  0.1296E+02  0.7716E+01 "alien"
   17   -5   67    2.03   25.10  0.4466E+03  0.6994E+01 "alien"
   79   -8   43    1.61   25.09  0.1588E+02  0.1111E+02 "alien"
   83  -26   45    1.62   25.09  0.1588E+02  0.1049E+02 "alien"
    8   -1   56    2.47   25.04  0.1405E+04  0.1279E+02 "alien"
   20   -9   61    2.20   25.03  0.6678E+03  0.8140E+01 "alien"
   56  -11   68    1.64   25.03  0.2101E+02  0.7909E+01 "alien"
   96  -39   29    1.58   24.98  0.1290E+02  0.1098E+02 "alien"
   50  -20   71    1.67   24.98  0.2096E+02  0.7880E+01 "alien"
   11   -2   50    2.73   24.98  0.2037E+04  0.1758E+02 "alien"
   61   -2   65    1.58   24.96  0.1289E+02  0.9493E+01 "alien"
   96  -24   15    1.59   24.92  0.1577E+02  0.1129E+02 "alien"
   77   -6   45    1.61   24.89  0.1575E+02  0.1144E+02 "alien"
   69  -26   61    1.63   24.88  0.1575E+02  0.1123E+02 "alien"
   90  -18   27    1.61   24.88  0.1575E+02  0.1142E+02 "alien"
   85  -26   48    1.56   24.87  0.1285E+02  0.1105E+02 "alien"
   91  -36   35    1.61   24.87  0.1574E+02  0.1124E+02 "alien"
   89  -21   23    1.67   24.85  0.2086E+02  0.1137E+02 "alien"
   82  -29   42    1.67   24.79  0.2080E+02  0.1100E+02 "alien"
   56  -23   72    1.60   24.78  0.1568E+02  0.7827E+01 "alien"
   55   -5   71    1.58   24.77  0.1280E+02  0.1099E+02 "alien"
   81   -5   41    1.57   24.75  0.1278E+02  0.1148E+02 "alien"
   87   -9   25    1.61   24.72  0.1564E+02  0.1077E+02 "alien"
   12   -5   53    2.58   24.71  0.2015E+04  0.1610E+02 "alien"
   27  -11   69    1.91   24.71  0.1606E+03  0.9570E+01 "alien"
   88  -31   41    1.59   24.68  0.1562E+02  0.1062E+02 "alien"
   62  -18   69    1.58   24.66  0.1274E+02  0.1132E+02 "alien"
   40   -6   66    1.84   24.65  0.8809E+02  0.7848E+01 "alien"
   60  -12   70    1.57   24.64  0.1273E+02  0.1076E+02 "alien"
   95  -25   13    1.62   24.64  0.1559E+02  0.1099E+02 "alien"
   80   -5   31    1.67   24.60  0.2064E+02  0.1112E+02 "alien"
   16   -1   63    2.15   24.59  0.6559E+03  0.7759E+01 "alien"
   87  -14   22    1.66   24.58  0.2063E+02  0.1123E+02 "alien"
   56   -7   68    1.62   24.56  0.1554E+02  0.7667E+01 "alien"
   90  -14   28    1.58   24.56  0.1269E+02  0.1147E+02 "alien"
   93  -22   19    1.62   24.55  0.1553E+02  0.1134E+02 "alien"
   56  -10   71    1.59   24.55  0.1553E+02  0.1128E+02 "alien"
   57   -4   70    1.57   24.54  0.1268E+02  0.1123E+02 "alien"
   13   -6   66    2.08   24.54  0.4367E+03  0.6797E+01 "alien"
   53  -20   71    1.65   24.54  0.2059E+02  0.7951E+01 "alien"
   54   -2   69    1.60   24.52  0.1552E+02  0.8076E+01 "alien"
   82  -14   36    1.66   24.51  0.2057E+02  0.1156E+02 "alien"
   28  -11   68    1.93   24.51  0.1593E+03  0.8361E+01 "alien"
   82   -5   37    1.59   24.48  0.1549E+02  0.1187E+02 "alien"
   75  -19   58    1.57   24.45  0.1263E+02  0.7762E+01 "alien"
   83   -4   39    1.55   24.44  0.1263E+02  0.1145E+02 "alien"
   89  -36   33    1.66   24.44  0.2051E+02  0.1098E+02 "alien"
   89  -30   40    1.59   24.43  0.1546E+02  0.1089E+02 "alien"
   97  -41   22    1.60   24.43  0.1546E+02  0.1101E+02 "alien"
   92  -38   27    1.65   24.41  0.2048E+02  0.1093E+02 "alien"
   77  -29   57    1.58   24.40  0.1261E+02  0.8066E+01 "alien"
   73  -15   60    1.55   24.40  0.1261E+02  0.1051E+02 "alien"
   28   -9   63    2.06   24.40  0.4343E+03  0.8442E+01 "alien"
   62   -7   67    1.57   24.40  0.1260E+02  0.1197E+02 "alien"
   68  -13   63    1.57   24.39  0.1260E+02  0.1075E+02 "alien"
   83  -25   52    1.55   24.39  0.1260E+02  0.1117E+02 "alien"
   61  -26   68    1.62   24.39  0.1543E+02  0.7468E+01 "alien"
   57  -12   73    1.56   24.36  0.1258E+02  0.1137E+02 "alien"
   58  -27   73    1.57   24.35  0.1258E+02  0.7610E+01 "alien"
   75   -6   47    1.62   24.31  0.1538E+02  0.1127E+02 "alien"
   79  -25   55    1.57   24.28  0.1254E+02  0.1126E+02 "alien"
   53  -19   73    1.61   24.28  0.1536E+02  0.7912E+01 "alien"
   52  -17   71    1.65   24.26  0.2036E+02  0.8102E+01 "alien"


 List of    500 reflections *NOT* obeying Wilson distribution (sorted by resolution)
 Ice rings could occur at (Angstrom):
 3.897,3.669,3.441, 2.671,2.249,2.072, 1.948,1.918,1.883,1.721

   h    k    l     RES      Z     Intensity    Sigma

   96  -36   34    1.54   25.11  0.1297E+02  0.1140E+02
   99  -38   26    1.55   32.65  0.1687E+02  0.1164E+02
   84  -26   51    1.55   43.52  0.2248E+02  0.1110E+02
   83  -25   52    1.55   24.39  0.1260E+02  0.1117E+02
   77  -24   59    1.55   25.77  0.1331E+02  0.1141E+02
   77  -29   60    1.55   26.61  0.1374E+02  0.1133E+02
   60  -20   73    1.55   30.06  0.1553E+02  0.1101E+02
   70  -13   63    1.55   30.73  0.1588E+02  0.1083E+02
   88  -10   34    1.55   33.31  0.1721E+02  0.1212E+02
   91  -13   29    1.55   26.82  0.1385E+02  0.1169E+02
   59  -29   74    1.55   36.06  0.1863E+02  0.7675E+01
   83   -4   39    1.55   24.44  0.1263E+02  0.1145E+02
   58  -20   74    1.55   43.21  0.2232E+02  0.1165E+02
   89  -30   44    1.55   42.01  0.2170E+02  0.1109E+02
   82   -3   40    1.55   44.74  0.2311E+02  0.1172E+02
   77  -22   58    1.55   29.78  0.1538E+02  0.1148E+02
   75  -18   59    1.55   29.20  0.1508E+02  0.1089E+02
   84  -25   50    1.55   40.39  0.2086E+02  0.1180E+02
   96  -19   18    1.55   37.39  0.1932E+02  0.1136E+02
   60  -24   73    1.55   41.42  0.2139E+02  0.1096E+02
   97  -38   30    1.55   53.69  0.2773E+02  0.1153E+02
   92  -32   39    1.55   46.75  0.2415E+02  0.1206E+02
   73  -15   60    1.55   24.40  0.1261E+02  0.1051E+02
   79   -4   46    1.55   59.76  0.3087E+02  0.1159E+02
   78  -36   59    1.55   28.29  0.1461E+02  0.8155E+01
   57   -8   72    1.56   29.03  0.1500E+02  0.1130E+02
   57  -12   73    1.56   24.36  0.1258E+02  0.1137E+02
   79  -29   57    1.56   49.49  0.2556E+02  0.1156E+02
   62   -8   68    1.56   36.31  0.1876E+02  0.1132E+02
   82  -24   52    1.56   25.29  0.1306E+02  0.1092E+02
   97  -21   15    1.56   46.60  0.2407E+02  0.1119E+02
   78  -18   55    1.56   35.30  0.1823E+02  0.1106E+02
   84   -5   37    1.56   26.97  0.1393E+02  0.1187E+02
   76  -20   58    1.56   33.31  0.1721E+02  0.8237E+01
   75   -6   53    1.56   40.69  0.2102E+02  0.1205E+02
   96  -36   31    1.56   28.27  0.1460E+02  0.1070E+02
   71  -13   61    1.56   30.11  0.1555E+02  0.1036E+02
   97  -22   16    1.56   34.99  0.1808E+02  0.1202E+02
   78  -30   58    1.56   29.90  0.1544E+02  0.1153E+02
   79  -31   57    1.56   29.43  0.1520E+02  0.1158E+02
   81  -24   53    1.56   43.70  0.2257E+02  0.1089E+02
   61  -13   70    1.56   34.15  0.1764E+02  0.1105E+02
   79  -17   53    1.56   36.62  0.1892E+02  0.1079E+02
   85  -26   48    1.56   24.87  0.1285E+02  0.1105E+02
   79  -11   50    1.56   39.21  0.2025E+02  0.1183E+02
   91  -13   27    1.56   43.88  0.2267E+02  0.1173E+02
   57   -3   70    1.56   55.59  0.2871E+02  0.1175E+02
   63   -6   66    1.56   28.53  0.1474E+02  0.7564E+01
   88  -11   33    1.56   26.71  0.1380E+02  0.1151E+02
   56   -7   72    1.56   29.53  0.1525E+02  0.1106E+02
   56   -4   71    1.56   38.03  0.1964E+02  0.1112E+02
   61   -7   68    1.56   43.54  0.2249E+02  0.1123E+02
   81  -22   52    1.56   31.22  0.1612E+02  0.1080E+02
   60  -11   70    1.56   29.75  0.1536E+02  0.1084E+02
   79   -4   45    1.56   25.96  0.1341E+02  0.1142E+02
   85  -27   48    1.56   38.90  0.2009E+02  0.1128E+02
   96  -21   18    1.56   39.46  0.2038E+02  0.1232E+02
   84   -7   38    1.56   35.11  0.1814E+02  0.1179E+02
   59  -17   72    1.56   25.10  0.1296E+02  0.7716E+01
   78  -23   56    1.56   28.66  0.1481E+02  0.1132E+02
   97  -21   12    1.57   28.29  0.1461E+02  0.1113E+02
   62   -7   67    1.57   24.40  0.1260E+02  0.1197E+02
   79  -24   55    1.57   32.22  0.1664E+02  0.1157E+02
   90  -12   28    1.57   27.56  0.1424E+02  0.1180E+02
   96  -19   14    1.57   38.74  0.2001E+02  0.1165E+02
   57   -4   70    1.57   24.54  0.1268E+02  0.1123E+02
   59   -3   68    1.57   37.30  0.1927E+02  0.1126E+02
   67   -9   63    1.57   29.56  0.1527E+02  0.1009E+02
   88  -30   44    1.57   28.02  0.1448E+02  0.1140E+02
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   77  -37   59    1.57   30.79  0.1591E+02  0.7940E+01
   82   -4   39    1.57   37.58  0.1941E+02  0.1151E+02
   60  -12   70    1.57   24.64  0.1273E+02  0.1076E+02
   67  -12   64    1.57   26.77  0.1383E+02  0.1063E+02
   75  -19   58    1.57   24.45  0.1263E+02  0.7762E+01
   64   -7   65    1.57   31.55  0.1630E+02  0.7584E+01
   74   -7   54    1.57   47.20  0.2438E+02  0.1228E+02
   77  -28   58    1.57   27.04  0.1397E+02  0.8133E+01
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   92  -16   26    1.57   28.60  0.1477E+02  0.1127E+02
   99  -38   21    1.57   25.97  0.1342E+02  0.1057E+02
   79   -6   46    1.57   26.45  0.1366E+02  0.1113E+02
   79  -25   55    1.57   24.28  0.1254E+02  0.1126E+02
   77  -15   54    1.57   29.33  0.1515E+02  0.1125E+02
   60  -17   71    1.57   33.58  0.1735E+02  0.1113E+02
   60  -25   72    1.57   28.71  0.1483E+02  0.1082E+02
   89  -30   42    1.57   40.93  0.2114E+02  0.1131E+02
   93  -35   36    1.57   25.61  0.1323E+02  0.1147E+02
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   79  -31   56    1.57   38.94  0.2012E+02  0.1164E+02
   90  -12   27    1.57   29.04  0.1500E+02  0.1135E+02
   89  -31   42    1.57   28.92  0.1494E+02  0.1054E+02
   68  -13   63    1.57   24.39  0.1260E+02  0.1075E+02
   78  -22   55    1.57   25.47  0.1315E+02  0.7879E+01
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   83  -24   49    1.57   29.52  0.1525E+02  0.1092E+02
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   62  -12   68    1.57   46.81  0.2418E+02  0.1111E+02
   77  -16   54    1.57   41.28  0.2132E+02  0.1089E+02
   83   -6   38    1.57   25.46  0.1315E+02  0.1166E+02
   95  -21   20    1.57   25.70  0.1327E+02  0.1143E+02
   57  -13   72    1.57   26.31  0.1359E+02  0.1113E+02
   79  -27   55    1.57   28.54  0.1474E+02  0.1130E+02
   58  -27   73    1.57   24.35  0.1258E+02  0.7610E+01
   81   -5   41    1.57   24.75  0.1278E+02  0.1148E+02
   58  -28   73    1.57   34.49  0.1782E+02  0.7783E+01
   60   -7   68    1.57   48.26  0.2493E+02  0.1128E+02
   76   -6   50    1.57   27.88  0.1440E+02  0.1147E+02
   87  -28   44    1.57   34.65  0.1790E+02  0.1096E+02
   61  -18   70    1.57   27.19  0.1405E+02  0.1132E+02
   72  -17   60    1.58   33.26  0.1718E+02  0.1133E+02
   94  -19   21    1.58   35.41  0.1829E+02  0.1163E+02
   69  -11   61    1.58   26.24  0.1355E+02  0.1047E+02
   80   -2   40    1.58   27.83  0.1438E+02  0.1130E+02
   93  -35   35    1.58   28.57  0.1476E+02  0.1132E+02
   92  -35   37    1.58   43.70  0.2257E+02  0.1136E+02
   73   -8   55    1.58   31.87  0.1646E+02  0.1200E+02
   92  -15   23    1.58   26.85  0.1387E+02  0.1181E+02
   61   -2   65    1.58   24.96  0.1289E+02  0.9493E+01
   96  -39   29    1.58   24.98  0.1290E+02  0.1098E+02
   60  -15   70    1.58   34.03  0.1758E+02  0.1089E+02
   98  -25    7    1.58   37.16  0.1919E+02  0.1167E+02
   55  -19   74    1.58   29.35  0.1516E+02  0.1148E+02
   55   -5   71    1.58   24.77  0.1280E+02  0.1099E+02
   93  -36   35    1.58   32.25  0.1666E+02  0.1100E+02
   97  -39   26    1.58   27.96  0.1444E+02  0.1092E+02
   62  -18   69    1.58   24.66  0.1274E+02  0.1132E+02
   90  -14   28    1.58   24.56  0.1269E+02  0.1147E+02
   72  -18   60    1.58   26.09  0.1348E+02  0.1113E+02
   96  -37   28    1.58   28.66  0.1480E+02  0.1075E+02
   89  -34   42    1.58   35.47  0.1832E+02  0.1164E+02
   84   -7   36    1.58   29.33  0.1515E+02  0.1179E+02
   98  -36   21    1.58   35.07  0.1812E+02  0.1091E+02
   77   -6   48    1.58   44.33  0.2290E+02  0.1223E+02
   59   -3   67    1.58   27.26  0.1408E+02  0.7879E+01
   57   -7   70    1.58   41.30  0.2133E+02  0.1104E+02
   97  -22    7    1.58   30.31  0.1566E+02  0.1104E+02
   57   -4   69    1.58   35.39  0.1828E+02  0.1109E+02
   78  -29   56    1.58   30.75  0.1588E+02  0.8037E+01
   58   -1   67    1.58   39.81  0.2057E+02  0.7936E+01
   61  -11   68    1.58   41.15  0.2125E+02  0.1064E+02
   56   -8   71    1.58   40.79  0.2107E+02  0.1139E+02
   87  -30   44    1.58   27.17  0.1404E+02  0.1084E+02
   58  -20   72    1.58   27.43  0.1417E+02  0.7659E+01
   55  -21   74    1.58   46.09  0.2381E+02  0.1157E+02
   94  -35   32    1.58   29.41  0.1519E+02  0.1139E+02
   84  -25   47    1.58   33.89  0.1750E+02  0.1103E+02
   77  -29   57    1.58   24.40  0.1261E+02  0.8066E+01
   92  -34   36    1.58   37.37  0.1930E+02  0.1146E+02
   73  -11   56    1.58   27.33  0.1412E+02  0.1181E+02
   57  -26   73    1.58   32.62  0.2065E+02  0.7784E+01
   54  -11   73    1.58   32.26  0.2042E+02  0.1109E+02
   74   -6   52    1.58   27.66  0.1750E+02  0.1132E+02
   55  -23   74    1.58   31.09  0.1968E+02  0.1115E+02
   89  -14   30    1.58   38.66  0.2447E+02  0.1164E+02
   86  -29   45    1.58   35.52  0.2248E+02  0.1093E+02
   91  -35   38    1.58   43.77  0.2770E+02  0.1170E+02
   57   -8   70    1.58   28.33  0.1793E+02  0.7942E+01
   92  -17   24    1.58   27.70  0.1753E+02  0.1150E+02
   74  -30   60    1.58   25.11  0.1589E+02  0.1151E+02
   96  -21   11    1.58   28.09  0.1778E+02  0.1149E+02
   84  -26   47    1.58   26.88  0.1701E+02  0.1111E+02
   57  -12   71    1.58   27.72  0.1754E+02  0.7813E+01
   89  -30   40    1.59   24.43  0.1546E+02  0.1089E+02
   84   -6   34    1.59   35.35  0.2237E+02  0.1187E+02
   86  -27   44    1.59   29.27  0.1852E+02  0.1098E+02
   54   -8   72    1.59   26.66  0.1687E+02  0.1080E+02
   71   -5   55    1.59   29.67  0.1878E+02  0.1169E+02
   73   -6   53    1.59   35.41  0.2241E+02  0.1154E+02
   96  -36   26    1.59   25.68  0.1625E+02  0.1077E+02
   71  -14   59    1.59   25.88  0.1638E+02  0.1058E+02
   56  -10   71    1.59   24.55  0.1553E+02  0.1128E+02
   95  -19   12    1.59   28.44  0.1800E+02  0.1093E+02
   67  -11   62    1.59   25.70  0.1626E+02  0.1033E+02
   74  -34   60    1.59   28.00  0.1772E+02  0.8165E+01
   74  -13   55    1.59   25.73  0.1628E+02  0.1191E+02
   96  -24   15    1.59   24.92  0.1577E+02  0.1129E+02
   62  -17   68    1.59   28.33  0.1793E+02  0.1071E+02
   82   -5   37    1.59   24.48  0.1549E+02  0.1187E+02
   92  -15   20    1.59   35.72  0.2261E+02  0.1165E+02
   81  -27   51    1.59   28.66  0.1814E+02  0.1113E+02
   92  -18   24    1.59   28.65  0.1813E+02  0.1164E+02
   96  -40   27    1.59   28.95  0.1832E+02  0.1110E+02
   56  -25   73    1.59   26.01  0.1646E+02  0.7763E+01
   90  -35   39    1.59   36.66  0.2320E+02  0.1109E+02
   88  -33   42    1.59   25.21  0.1596E+02  0.1105E+02
   79   -2   40    1.59   26.59  0.1682E+02  0.7848E+01
   96  -23   12    1.59   33.73  0.2135E+02  0.1153E+02
   76   -9   50    1.59   31.47  0.1991E+02  0.1168E+02
   97  -39   23    1.59   25.45  0.1611E+02  0.1133E+02
   79   -7   44    1.59   29.17  0.1846E+02  0.1138E+02
   73  -28   60    1.59   28.39  0.1797E+02  0.1114E+02
   84   -8   35    1.59   25.12  0.1590E+02  0.1188E+02
   89  -30   39    1.59   31.46  0.1991E+02  0.1087E+02
   90  -30   37    1.59   30.48  0.1929E+02  0.1098E+02
   94  -38   31    1.59   31.66  0.2004E+02  0.1117E+02
   59  -27   71    1.59   28.47  0.1802E+02  0.7672E+01
   80  -21   50    1.59   28.79  0.1822E+02  0.1061E+02
   88  -31   41    1.59   24.68  0.1562E+02  0.1062E+02
   85  -28   45    1.60   30.63  0.1938E+02  0.1081E+02
   53  -12   73    1.60   47.93  0.3033E+02  0.1203E+02
   82   -8   39    1.60   33.86  0.2143E+02  0.1230E+02
   72  -11   56    1.60   30.38  0.1923E+02  0.1232E+02
   75   -7   50    1.60   27.47  0.1738E+02  0.8101E+01
   94  -39   31    1.60   58.87  0.3725E+02  0.1151E+02
   94  -22   20    1.60   28.05  0.1775E+02  0.1145E+02
   64   -5   62    1.60   33.38  0.2113E+02  0.1023E+02
   77   -7   47    1.60   27.19  0.1721E+02  0.1163E+02
   61  -21   69    1.60   26.55  0.1680E+02  0.1074E+02
   93  -17   17    1.60   28.69  0.1816E+02  0.1158E+02
   91  -34   36    1.60   27.35  0.1731E+02  0.1099E+02
   55   -3   69    1.60   27.75  0.1756E+02  0.8258E+01
   60   -9   67    1.60   25.42  0.1609E+02  0.1087E+02
   61   -1   63    1.60   29.36  0.1858E+02  0.1045E+02
   88  -29   40    1.60   36.53  0.2312E+02  0.1103E+02
   87  -13   32    1.60   29.95  0.1895E+02  0.1172E+02
   81  -23   49    1.60   27.83  0.1761E+02  0.1066E+02
   73   -8   53    1.60   28.37  0.1795E+02  0.1148E+02
   62  -21   68    1.60   47.42  0.3001E+02  0.1092E+02
   78   -7   45    1.60   27.66  0.1751E+02  0.1145E+02
   88  -14   30    1.60   27.64  0.1749E+02  0.1146E+02
   92  -16   19    1.60   25.14  0.1591E+02  0.1187E+02
   95  -37   27    1.60   38.72  0.2450E+02  0.1127E+02
   73  -35   60    1.60   28.11  0.1779E+02  0.8078E+01
   89  -14   27    1.60   25.19  0.1594E+02  0.1109E+02
   53  -24   74    1.60   41.51  0.2627E+02  0.1123E+02
   54   -8   71    1.60   26.46  0.1675E+02  0.1076E+02
   58  -24   71    1.60   27.08  0.1714E+02  0.7761E+01
   83   -4   32    1.60   41.13  0.2603E+02  0.1153E+02
   55   -7   70    1.60   34.78  0.2201E+02  0.1113E+02
   97  -41   22    1.60   24.43  0.1546E+02  0.1101E+02
   89  -33   39    1.60   42.35  0.2680E+02  0.1128E+02
   89  -15   28    1.60   33.54  0.2122E+02  0.1149E+02
   74  -36   59    1.60   33.18  0.2100E+02  0.8043E+01
   90  -33   37    1.60   26.99  0.1708E+02  0.1095E+02
   83   -5   33    1.60   26.49  0.1677E+02  0.1161E+02
   83   -8   36    1.60   40.08  0.2536E+02  0.1202E+02
   87  -10   28    1.60   29.78  0.1885E+02  0.1144E+02
   54   -2   69    1.60   24.52  0.1552E+02  0.8076E+01
   95  -36   26    1.60   25.99  0.1645E+02  0.1119E+02
   85  -25   43    1.60   36.60  0.2316E+02  0.1055E+02
   88  -35   41    1.60   32.41  0.2051E+02  0.1085E+02
   65   -9   62    1.60   28.98  0.1834E+02  0.1058E+02
   56  -23   72    1.60   24.78  0.1568E+02  0.7827E+01
   93  -33   30    1.60   25.23  0.1596E+02  0.1088E+02
   82   -4   34    1.60   47.75  0.3022E+02  0.1202E+02
   86  -30   43    1.60   27.36  0.1731E+02  0.1070E+02
   82   -5   35    1.60   43.06  0.2725E+02  0.1191E+02
   85  -10   33    1.60   58.17  0.3681E+02  0.1185E+02
   52  -19   74    1.61   27.87  0.1764E+02  0.1134E+02
   96  -37   23    1.61   39.43  0.2495E+02  0.1103E+02
   81   -2   34    1.61   25.42  0.1609E+02  0.1141E+02
   95  -40   27    1.61   30.33  0.1919E+02  0.1096E+02
   94  -20   14    1.61   30.47  0.1928E+02  0.1091E+02
   86  -13   33    1.61   31.65  0.2003E+02  0.1176E+02
   64  -13   64    1.61   27.37  0.1732E+02  0.1023E+02
   89  -36   39    1.61   25.35  0.1604E+02  0.1107E+02
   53  -17   73    1.61   32.70  0.2069E+02  0.1123E+02
   92  -31   31    1.61   33.43  0.2115E+02  0.1092E+02
   79   -1   37    1.61   27.17  0.1719E+02  0.7884E+01
   90  -18   27    1.61   24.88  0.1575E+02  0.1142E+02
   92  -15   15    1.61   28.40  0.1797E+02  0.1110E+02
   77   -6   45    1.61   24.89  0.1575E+02  0.1144E+02
   91  -36   35    1.61   24.87  0.1574E+02  0.1124E+02
   54  -26   73    1.61   34.57  0.2188E+02  0.7939E+01
   79   -8   43    1.61   25.09  0.1588E+02  0.1111E+02
   96  -39   23    1.61   35.68  0.2258E+02  0.1127E+02
   56  -12   70    1.61   28.57  0.1808E+02  0.7629E+01
   52  -14   73    1.61   29.67  0.1878E+02  0.1175E+02
   76  -32   56    1.61   28.02  0.1773E+02  0.8045E+01
   79  -36   53    1.61   37.58  0.2378E+02  0.1111E+02
   70  -20   60    1.61   32.37  0.2048E+02  0.1202E+02
   87  -26   39    1.61   30.90  0.1955E+02  0.1058E+02
   79  -13   46    1.61   30.55  0.1933E+02  0.1118E+02
   53  -19   73    1.61   24.28  0.1536E+02  0.7912E+01
   95  -35   24    1.61   33.47  0.2118E+02  0.1063E+02
   82   -7   36    1.61   31.26  0.1978E+02  0.1169E+02
   78  -24   52    1.61   32.40  0.2050E+02  0.7612E+01
   84  -33   46    1.61   30.16  0.1909E+02  0.1214E+02
   87   -9   25    1.61   24.72  0.1564E+02  0.1077E+02
   82  -23   46    1.61   34.56  0.2187E+02  0.1091E+02
   81   -3   34    1.61   39.09  0.2474E+02  0.1160E+02
   93  -23   21    1.61   37.83  0.2394E+02  0.1150E+02
   79  -30   52    1.61   35.84  0.2268E+02  0.1102E+02
   89  -29   36    1.61   35.73  0.2261E+02  0.1082E+02
   65   -6   60    1.61   25.11  0.1589E+02  0.1022E+02
   53  -21   73    1.61   26.62  0.1685E+02  0.7915E+01
   94  -34   26    1.61   28.85  0.1826E+02  0.1080E+02
   77  -10   47    1.61   32.24  0.2040E+02  0.1127E+02
   61  -24   68    1.62   31.14  0.1970E+02  0.7703E+01
   71   -8   54    1.62   40.03  0.2533E+02  0.1172E+02
   94  -37   27    1.62   32.81  0.2076E+02  0.1088E+02
   92  -18   18    1.62   34.69  0.2195E+02  0.1124E+02
   81  -10   40    1.62   37.32  0.2361E+02  0.1264E+02
   87  -34   41    1.62   25.64  0.1622E+02  0.1108E+02
   93  -22   19    1.62   24.55  0.1553E+02  0.1134E+02
   52  -11   72    1.62   31.38  0.1986E+02  0.1106E+02
   51  -13   73    1.62   30.89  0.1955E+02  0.1151E+02
   61  -26   68    1.62   24.39  0.1543E+02  0.7468E+01
   95  -25   13    1.62   24.64  0.1559E+02  0.1099E+02
   71  -28   60    1.62   30.24  0.1913E+02  0.8209E+01
   51  -25   74    1.62   42.88  0.2714E+02  0.1144E+02
   59  -22   69    1.62   31.28  0.1980E+02  0.7899E+01
   83  -26   45    1.62   25.09  0.1588E+02  0.1049E+02
   53  -15   72    1.62   26.94  0.1705E+02  0.7910E+01
   90  -20   27    1.62   27.99  0.1771E+02  0.1131E+02
   87  -26   38    1.62   36.13  0.2286E+02  0.1062E+02
   56   -7   68    1.62   24.56  0.1554E+02  0.7667E+01
   92  -20   20    1.62   26.78  0.1695E+02  0.1123E+02
   75   -6   47    1.62   24.31  0.1538E+02  0.1127E+02
   90  -13   18    1.62   28.60  0.1810E+02  0.1088E+02
   79  -28   51    1.62   25.13  0.1590E+02  0.7895E+01
   52  -12   72    1.62   37.17  0.2352E+02  0.1131E+02
   58  -18   69    1.62   27.13  0.1717E+02  0.8193E+01
   93  -22   18    1.62   33.20  0.2101E+02  0.1117E+02
   50  -11   73    1.62   32.37  0.2049E+02  0.1178E+02
   86  -13   31    1.62   45.80  0.2899E+02  0.1168E+02
   73  -30   58    1.62   35.55  0.2250E+02  0.7961E+01
   81   -6   36    1.62   41.07  0.2599E+02  0.1175E+02
   95  -37   23    1.62   36.63  0.2318E+02  0.1139E+02
   91  -16   18    1.62   27.63  0.1748E+02  0.1138E+02
   84  -26   43    1.62   36.68  0.2321E+02  0.1072E+02
   79  -37   52    1.62   27.09  0.1714E+02  0.1105E+02
   52  -13   72    1.62   25.90  0.1639E+02  0.7987E+01
   95  -38   23    1.62   26.92  0.1703E+02  0.1057E+02
   50  -20   74    1.62   30.97  0.1960E+02  0.1217E+02
   81  -28   48    1.62   34.44  0.2179E+02  0.1087E+02
   83   -7   32    1.62   26.80  0.1696E+02  0.1160E+02
   70   -7   54    1.62   36.54  0.2312E+02  0.1189E+02
   52   -5   70    1.63   31.14  0.1971E+02  0.1096E+02
   83  -28   45    1.63   29.71  0.1880E+02  0.1072E+02
   79  -30   51    1.63   35.54  0.2249E+02  0.1092E+02
   65   -8   60    1.63   29.24  0.1850E+02  0.1017E+02
   69  -26   61    1.63   24.88  0.1575E+02  0.1123E+02
   95  -32   19    1.63   29.18  0.1847E+02  0.1030E+02
   91  -18   20    1.63   31.71  0.2007E+02  0.1135E+02
   82   -9   36    1.63   29.50  0.1867E+02  0.1220E+02
   93  -37   28    1.63   30.00  0.1898E+02  0.1074E+02
   54  -16   71    1.63   29.68  0.1878E+02  0.8382E+01
   83   -4   28    1.63   35.03  0.2217E+02  0.1158E+02
   93  -24   19    1.63   31.20  0.2618E+02  0.1144E+02
   51   -7   71    1.63   38.01  0.3189E+02  0.1142E+02
   85  -30   42    1.63   38.56  0.3236E+02  0.1114E+02
   90  -39   35    1.63   27.18  0.2281E+02  0.1146E+02
   88  -19   30    1.63   30.51  0.2560E+02  0.1173E+02
   49  -11   73    1.63   28.28  0.2373E+02  0.1156E+02
   85  -14   33    1.63   28.05  0.2353E+02  0.1188E+02
   90  -16   20    1.63   31.83  0.2671E+02  0.1154E+02
   59  -21   68    1.63   26.74  0.2244E+02  0.7896E+01
   86  -17   33    1.63   28.83  0.2419E+02  0.1159E+02
   53  -14   71    1.63   33.05  0.2773E+02  0.8431E+01
   49   -3   71    1.63   30.23  0.2537E+02  0.1111E+02
   92  -18   13    1.63   38.18  0.3204E+02  0.1129E+02
   73   -5   48    1.63   31.29  0.2626E+02  0.1132E+02
   90  -18   22    1.64   28.02  0.2351E+02  0.1106E+02
   85  -24   39    1.64   25.27  0.2121E+02  0.1038E+02
   48   -5   72    1.64   26.78  0.2247E+02  0.1138E+02
   89  -16   23    1.64   25.35  0.2127E+02  0.1172E+02
   87  -26   36    1.64   28.50  0.2392E+02  0.1082E+02
   84  -35   44    1.64   31.37  0.2632E+02  0.1139E+02
   55  -12   69    1.64   26.38  0.2213E+02  0.7800E+01
   52  -12   71    1.64   31.96  0.2682E+02  0.8514E+01
   56  -11   68    1.64   25.03  0.2101E+02  0.7909E+01
   49  -13   73    1.64   27.31  0.2292E+02  0.1182E+02
   94  -23    8    1.64   26.80  0.2249E+02  0.1084E+02
   54  -14   70    1.64   26.22  0.2200E+02  0.7895E+01
   50  -11   72    1.64   27.19  0.2282E+02  0.1158E+02
   93  -22   13    1.64   29.13  0.2445E+02  0.1114E+02
   85  -12   30    1.64   25.18  0.2113E+02  0.1134E+02
   49  -14   73    1.64   26.39  0.2215E+02  0.1142E+02
   52  -13   71    1.64   35.13  0.2948E+02  0.8247E+01
   48   -6   72    1.64   25.65  0.2153E+02  0.1127E+02
   51  -10   71    1.64   26.39  0.2215E+02  0.8332E+01
   82  -11   36    1.64   26.36  0.2212E+02  0.1137E+02
   57  -23   69    1.64   26.52  0.2225E+02  0.7762E+01
   93  -22   12    1.64   31.60  0.2652E+02  0.1137E+02
   82   -6   31    1.64   25.62  0.2150E+02  0.1134E+02
   82  -33   46    1.64   30.39  0.2550E+02  0.1116E+02
   89  -18   24    1.64   30.64  0.2571E+02  0.1143E+02
   78  -32   51    1.64   33.82  0.2838E+02  0.1110E+02
   51  -17   72    1.64   28.57  0.2397E+02  0.8136E+01
   48   -7   72    1.64   36.38  0.3053E+02  0.1114E+02
   90  -18   20    1.64   27.17  0.2280E+02  0.1163E+02
   53  -20   71    1.65   24.54  0.2059E+02  0.7951E+01
   91  -28   26    1.65   30.19  0.2533E+02  0.1186E+02
   73   -7   48    1.65   32.67  0.2742E+02  0.1139E+02
   82  -20   41    1.65   26.52  0.2225E+02  0.1045E+02
   92  -20   12    1.65   29.38  0.2466E+02  0.1148E+02
   82   -7   31    1.65   26.69  0.2239E+02  0.1138E+02
   52  -17   71    1.65   24.26  0.2036E+02  0.8102E+01
   92  -38   27    1.65   24.41  0.2048E+02  0.1093E+02
   92  -20   10    1.65   25.51  0.2141E+02  0.1095E+02
   87  -14   24    1.65   32.50  0.2728E+02  0.1141E+02
   67  -22   60    1.66   32.68  0.2742E+02  0.8418E+01
   89  -36   33    1.66   24.44  0.2051E+02  0.1098E+02
   67  -31   61    1.66   25.47  0.2137E+02  0.8164E+01
   85  -30   39    1.66   25.37  0.2129E+02  0.1088E+02
   92  -44   27    1.66   29.96  0.2514E+02  0.1150E+02
   50  -22   72    1.66   28.85  0.2421E+02  0.8006E+01
   86  -18   30    1.66   28.27  0.2372E+02  0.1146E+02
   89  -22   25    1.66   25.50  0.2140E+02  0.1133E+02
   82  -14   36    1.66   24.51  0.2057E+02  0.1156E+02
   86  -15   27    1.66   37.19  0.3121E+02  0.1141E+02
   91  -43   29    1.66   36.46  0.3059E+02  0.1123E+02
   80   -9   36    1.66   28.40  0.2383E+02  0.1180E+02
   85  -32   39    1.66   25.64  0.2151E+02  0.1106E+02
   90  -16   11    1.66   32.00  0.2685E+02  0.1074E+02
   47  -10   72    1.66   32.28  0.2708E+02  0.1147E+02
   87  -14   22    1.66   24.58  0.2063E+02  0.1123E+02
   91  -18    8    1.66   25.99  0.2181E+02  0.1054E+02
   89  -21   23    1.67   24.85  0.2086E+02  0.1137E+02
   85  -15   29    1.67   29.60  0.2484E+02  0.1145E+02
   47  -19   73    1.67   33.60  0.2819E+02  0.8088E+01
   89  -13    9    1.67   31.82  0.2670E+02  0.1040E+02
   45   -2   71    1.67   27.58  0.2314E+02  0.1078E+02
   80   -5   31    1.67   24.60  0.2064E+02  0.1112E+02
   48   -2   69    1.67   27.63  0.2319E+02  0.8040E+01
   83  -16   34    1.67   26.85  0.2253E+02  0.1155E+02
   55   -3   64    1.67   26.11  0.2191E+02  0.6334E+01
   60   -2   59    1.67   26.70  0.2240E+02  0.1025E+02
   59   -7   62    1.67   26.44  0.2218E+02  0.6360E+01
   84  -21   35    1.67   26.98  0.2264E+02  0.1015E+02
   84  -34   40    1.67   29.69  0.2491E+02  0.1071E+02
   60  -25   65    1.67   25.85  0.2169E+02  0.1124E+02
   82  -29   42    1.67   24.79  0.2080E+02  0.1100E+02
   50  -20   71    1.67   24.98  0.2096E+02  0.7880E+01
   91  -43   27    1.67   38.25  0.3210E+02  0.1155E+02
   81  -20   40    1.68   31.39  0.2634E+02  0.1021E+02
   88  -40   26    1.73 1071.34  0.2442E+05  0.5769E+03
   83  -36   36    1.73 6224.96  0.1419E+06  0.3307E+04
   83  -37   36    1.73 3928.52  0.2700E+06  0.6285E+04
   80  -40   41    1.73   27.87  0.1579E+05  0.3769E+03
   84  -37   34    1.73  246.86  0.1697E+05  0.4039E+03
   84  -38   34    1.74 3063.52  0.2106E+06  0.4903E+04
   81  -27   32    1.78   61.20  0.4206E+04  0.1069E+03
   82  -41   32    1.79   26.66  0.1354E+05  0.3241E+03
   31  -13   72    1.81   25.82  0.9225E+02  0.9834E+01
   28   -5   72    1.82   25.81  0.9223E+02  0.1390E+02
   27   -3   72    1.83   25.52  0.9120E+02  0.1519E+02
   29  -12   72    1.83   28.76  0.1028E+03  0.1009E+02
   40   -6   66    1.84   24.65  0.8809E+02  0.7848E+01
   26   -6   72    1.84   45.33  0.1620E+03  0.1583E+02
   27  -12   72    1.84   31.57  0.1128E+03  0.1050E+02
   26   -7   72    1.84   32.29  0.1154E+03  0.1097E+02
   29  -11   71    1.85   27.73  0.9910E+02  0.1012E+02
   40  -10   66    1.85   28.93  0.1034E+03  0.7133E+01
   21  -10   72    1.88   36.91  0.2399E+03  0.1289E+02
   27  -11   69    1.91   24.71  0.1606E+03  0.9570E+01
   25   -4   69    1.92   26.03  0.1692E+03  0.8114E+01
   16   -2   71    1.92   73.17  0.4756E+03  0.1394E+02
   17   -7   71    1.92   50.28  0.3268E+03  0.1441E+02
   28  -11   68    1.93   24.51  0.1593E+03  0.8361E+01
   15   -7   70    1.96   25.80  0.3185E+03  0.9011E+01
   13   -1   70    1.96   25.95  0.3203E+03  0.1039E+02
   14   -1   69    1.98   38.50  0.4753E+03  0.9013E+01
    7   -1   70    1.98   47.81  0.5902E+03  0.1009E+02
   15   -7   69    1.99   35.60  0.4395E+03  0.1048E+02
   23   -6   66    2.02   93.61  0.1156E+04  0.1125E+02
   13   -1   68    2.02   29.15  0.3599E+03  0.6091E+01
   18   -2   67    2.02   35.17  0.4342E+03  0.7228E+01
   18   -4   67    2.02   34.50  0.4259E+03  0.6552E+01
   17   -5   67    2.03   25.10  0.4466E+03  0.6994E+01
   20   -7   66    2.04   25.11  0.4469E+03  0.6902E+01
   28   -9   63    2.06   24.40  0.4343E+03  0.8442E+01
   14   -3   66    2.07   25.96  0.4621E+03  0.2605E+02
   13   -5   66    2.08   35.65  0.6344E+03  0.7738E+01
   13   -6   66    2.08   24.54  0.4367E+03  0.6797E+01
   12   -2   66    2.08   29.28  0.5210E+03  0.7073E+01
   12   -3   66    2.09   43.81  0.7796E+03  0.8690E+01
   36  -14   59    2.09   26.16  0.4655E+03  0.6725E+01
    7   -2   66    2.10   34.54  0.6147E+03  0.7652E+01
   18   -3   64    2.11   36.07  0.6420E+03  0.7751E+01
    3   -1   66    2.11   36.30  0.6459E+03  0.7809E+01
   16   -4   64    2.13   38.49  0.1027E+04  0.1028E+02
   16   -1   63    2.15   24.59  0.6559E+03  0.7759E+01
   30   -3   57    2.19   36.08  0.9626E+03  0.1011E+02
   15   -3   62    2.20   31.26  0.8338E+03  0.9758E+01
   20   -9   61    2.20   25.03  0.6678E+03  0.8140E+01
   13   -4   62    2.21   25.29  0.6745E+03  0.8588E+01
   17   -6   59    2.29   30.64  0.1213E+04  0.1574E+02
   16   -3   59    2.29   39.81  0.1576E+04  0.1917E+02
   11   -1   59    2.33   35.21  0.1393E+04  0.1237E+02
   23  -10   56    2.35   26.23  0.1038E+04  0.9864E+01
    8   -2   59    2.35   65.98  0.2611E+04  0.2129E+02
   17   -3   57    2.36   28.96  0.1146E+04  0.1059E+02
    9   -2   56    2.46   30.24  0.1696E+04  0.1420E+02
    8   -1   56    2.47   25.04  0.1405E+04  0.1279E+02
    6   -1   56    2.48   28.02  0.1572E+04  0.1335E+02
   11   -2   55    2.49   33.64  0.1887E+04  0.1603E+02
   11   -3   54    2.54   31.27  0.2550E+04  0.2056E+02
   12   -5   53    2.58   24.71  0.2015E+04  0.1610E+02
   10   -3   53    2.60   42.67  0.3480E+04  0.2585E+02
   11   -2   50    2.73   24.98  0.2037E+04  0.1758E+02

 NUMBER OF UNIQUE ALIEN REFLECTIONS WITH A Z-SCORE ABOVE LIMIT       945
 (ALIENS ABOVE LIMIT (REJECT_ALIEN=      20.0) ARE MARKED INVALID)

 NUMBER OF REFLECTION RECORDS ON OUTPUT FILE "XDS_ASCII.HKL"      561233
 NUMBER OF ACCEPTED OBSERVATIONS (INCLUDING SYSTEMATIC ABSENCES)  554413
 NUMBER OF REJECTED MISFITS & ALIENS (marked by -1*SIGMA(IOBS))     6820


 cpu time used                198.5 sec
 elapsed wall-clock time       32.8 sec
      

 #################################################################################################



 MRFANA: analyse multi-record MTZ files 
 
   (Authors: G. Bricogne, E. Blanc, M. Brandl, C. Flensburg, 
    P. Keller, W. Paciorek, P. Roversi, A. Sharff, O. Smart, 
    C. Vonrhein, T. Womack)

 Copyright (C) 2007-2019 Global Phasing Ltd.

               All rights reserved.


 Version     : MRFANA 0.1.0beta for linux64-ifort made on Sep 23 2019 at 02:01:07

 Licenced to : Global Phasing Ltd (server8)

    Today is                    Tue Oct 29 08:42:50 2019


 >>> Software will expire soon : Fri Nov 22 04:23:42 2019 <<<



 #################################################################################################



 contains SPLINE library by John Burkardt (from
 http://people.sc.fsu.edu/~jburkardt/f_src/spline/spline.html)

  Calling get_args ... 



 Criteria for recommended resolution cut per RUN:
 ---------------------------------------------------- 
    Rmerge         <=   99.9999 (from  low-res limit)
    Rmeas          <=   99.9999 (from  low-res limit)
    Rpim           <=    0.6000 (from  low-res limit)
    I/sigI         >=    1.00   (from  low-res limit)
    Completeness   >=    0.0000 (from high-res limit)
    CC(1/2)        >=    0.3000 (from  low-res limit)

 Criteria for recommended resolution cut per DATASET:
 ---------------------------------------------------- 
    Rmerge         <=   99.9999 (from  low-res limit)
    Rmeas          <=   99.9999 (from  low-res limit)
    Rpim           <=    0.6000 (from  low-res limit)
    I/sigI         >=    2.00   (from  low-res limit)
    Completeness   >=    0.0000 (from high-res limit)
    CC(1/2)        >=    0.3000 (from  low-res limit)



 Setting random seed to 1648626148
 You can set this also with the -seed flag

  Calling open_file ... 
  Calling get_info ... 

 Overall cell =  161.22400 161.22400 139.49100  90.00000  90.00000 120.00000
 Orthogonalisation matrix =    161.22400   -80.61200     0.00000
                                 0.00000   139.62408     0.00000
                                 0.00000     0.00000   139.49100
 Inverse of above         =      0.00620     0.00358    -0.00000
                                 0.00000     0.00716    -0.00000
                                 0.00000     0.00000     0.00717
  Calling read_refl ... 
    reading reflection      28067 (   5.0 %)
    reading reflection      56134 (  10.0 %)
    reading reflection      84201 (  15.0 %)
    reading reflection     112268 (  20.0 %)
    reading reflection     140335 (  25.0 %)
    reading reflection     168402 (  30.0 %)
    reading reflection     196469 (  35.0 %)
    reading reflection     224536 (  40.0 %)
    reading reflection     252603 (  45.0 %)
    reading reflection     280670 (  50.0 %)
    reading reflection     308737 (  55.0 %)
    reading reflection     336804 (  60.0 %)
    reading reflection     364871 (  65.0 %)
    reading reflection     392938 (  70.0 %)
    reading reflection     421005 (  75.0 %)
    reading reflection     449072 (  80.0 %)
    reading reflection     477139 (  85.0 %)
    reading reflection     505206 (  90.0 %)
    reading reflection     533273 (  95.0 %)



 binning will be in 100 shells of equal volume (based on   1000 measured reflections per shell)


 need to re-sort reflections (H=slow, K=medium, L=fast)

  Calling read_batch ... 
  Calling stats ... 

 ####----------------------------------------------------------------
 #### NOTES
 ####----------------------------------------------------------------

 ####----------------------------------------------------------------
 #### Rmerge:
 
  According to [1] and Evans (2006) this is defined as
 
                   sum_i ( sum_j | Ij - <I> | )
    Rmerge(I) = --------------------------------                 (1)
                   sum_i ( sum_j        <I>   )
 
  with
 
    Ij  = the intensity of the jth observation of reflection i
    <I> = the mean of the intensities of all observations of reflection i
 
    sum_i is taken over all reflections
    sum_j is taken over all observations of each reflection.
 
  Diederichs & Karplus (1997), Weiss & Hilgenfeld (1997) and
  Weiss (2001) define this slightly different as
 
                   sum_i ( sum_j | Ij - <I> | )
    Rmerge(I) = --------------------------------                 (2)
                   sum_i ( sum_j   Ij         )
 
  which is identically to (1) if <I> is the mean (or average)
  intensity. However, it is the weighted (by variance) mean of
  the intensities we are computing during merging:
 
    <I> = sum_j ( Wj * Ij )                                      (3)
 
                    1     
    with:  Wj = ---------                                        (4)
                sd(Ij)**2
 
  Then equations (1) and (2) become different.
 
  Drenth (1994) calls (1) Rmerge and (2) Rsym.
 
 ####----------------------------------------------------------------
 #### Rmeas (also called Rrim):
 
  The redundancy-independent merging R factor value Rrim, also
  denoted Rmeas, for merging all intensities in a given shell.
 
           sum_i [Ni /( Ni - 1)]^(1/2) sum_j | Ij - <Ii> |
    Rrim = ---------------------------------------------         (5)
           sum_i (                  sum_j   Ij         )
 
    Ij   = the intensity of the jth observation of reflection i
    <Ii> = the mean of the intensities of all observations of reflection i
    Ni   = the redundancy (the number of times reflection i has been measured).
 
    sum_i is taken over all reflections
    sum_j is taken over all observations of each reflection.
 
  See Diederichs & Karplus (1997), Weiss & Hilgenfeld (1997), Weiss
  (2001) and [2].
 
  Evans (2006) defines this differently, with the denominator
  summing over <I> similar to the Rmerge equation (1) above:
 
           sum_i [Ni /( Ni - 1)]^(1/2) sum_j | Ij - <Ii> |
    Rrim = ---------------------------------------------         (6)
           sum_i (                  sum_j        <Ii>  )
 
 ####----------------------------------------------------------------
 #### Rpim:
 
  The precision-indicating merging R factor value Rpim,
  for merging all intensities in this data set is defined in [3],
  Diederichs & Karplus (1997), Weiss & Hilgenfeld (1997) and
  Weiss (2001) as
 
           sum_i [  1/(Ni - 1)]^(1/2) sum_j | Ij - <Ii> |
    Rpim = ---------------------------------------------         (7)
           sum_i (                  sum_j   Ij         )
 
  As above, Evans (2006) defines this differently as:
 
           sum_i [  1/(Ni - 1)]^(1/2) sum_j | Ij - <Ii> |
    Rrim = ---------------------------------------------         (8)
           sum_i (                  sum_j        <Ii>  )
 
 To add more complexity, all of the above statistics (Rmerge, Rmeas
 and Rpim) can be computed over all measurements of a unique reflection
 or separately for I+ and I-. The latter has the advantage that an
 existing anomalous signal will not result in an increase of R-value
 because of this. However, the original definitions above are not
 taking anomalous signal into account this way.
 
 ### References:
 
 [1] http://mmcif.wwpdb.org/dictionaries/mmcif_std.dic/Items/_reflns_shell.Rmerge_I_obs.html
 [2] http://www.iucr.org/__data/iucr/cifdic_html/2/mmcif_pdbx.dic/Ireflns.pdbx_Rrim_I_all.html
 [3] http://www.iucr.org/__data/iucr/cifdic_html/2/mmcif_pdbx.dic/Ireflns.pdbx_Rpim_I_all.html
 [4] Diederichs, K. & Karplus, P. A. (1997). Nature Struct. Biol. 4, 269-275.
 [5] Drenth, J. (1994). Principles of Protein X-ray Crystallography. Springer-Verlag, New York. p289-290.
 [6] Evans, P. (2006). Acta D62, 72-82.
 [7] Weiss, M. S. & Hilgenfeld, R. (1997). J. Appl. Cryst. 30, 203-205.
 [8] Weiss, M. S. (2001). J. Appl. Cryst. 34, 130-135.
 

 ############################################################
 #################### TOTAL 
 ############################################################



 We will be using a total of  100 bins for statistics as a function of resolution

 ------------------------------------------------------------------------------------------------------------------------------------------------
                                                                                     Completeness    Multiplicity
                                                                                     --------------  ------------
            Resolution      #uniq     #Rfac  Rmerge   Rmeas    Rpim   #Isig  I/sigI     all     ano    all    ano CC(1/2)  #CCAno CC(ano)  SigAno
 ------------------------------------------------------------------------------------------------------------------------------------------------
         98.682 -   7.138    1579      8793   0.017   0.018   0.007    1579  79.672  0.8729  0.7774   5.67   3.57  0.9996     679  0.7923   1.637
          7.138 -   5.666    1529      9430   0.021   0.023   0.008    1529  69.536  0.9096  0.8142   6.27   3.77  0.9995     776  0.7598   1.551
          5.666 -   4.950    1509      8383   0.022   0.024   0.009    1509  65.475  0.9168  0.8263   5.67   3.36  0.9995     819  0.5238   1.350
          4.950 -   4.497    1500      9078   0.022   0.023   0.008    1500  68.880  0.9214  0.8304   6.15   3.59  0.9995     840  0.2884   1.270
          4.497 -   4.175    1516      9465   0.021   0.023   0.008    1516  68.276  0.9238  0.8455   6.34   3.66  0.9997     873  0.3725   1.230
          4.175 -   3.929    1505      9543   0.022   0.024   0.008    1505  62.852  0.9336  0.8614   6.43   3.67  0.9998     894  0.4204   1.224
          3.929 -   3.732    1512      9651   0.024   0.025   0.009    1512  59.354  0.9356  0.8550   6.48   3.71  0.9997     888  0.4362   1.170
          3.732 -   3.570    1517      8060   0.027   0.029   0.011    1517  49.263  0.9393  0.8607   5.41   3.10  0.9996     888  0.3335   1.110
          3.570 -   3.432    1496      8813   0.028   0.030   0.011    1496  49.759  0.9415  0.8587   5.99   3.42  0.9995     900  0.3195   1.099
          3.432 -   3.314    1510      9276   0.031   0.033   0.012    1510  45.067  0.9402  0.8570   6.23   3.55  0.9996     884  0.3825   1.114
          3.314 -   3.210    1504      9325   0.035   0.038   0.013    1504  39.846  0.9459  0.8651   6.29   3.57  0.9994     910  0.3842   1.104
          3.210 -   3.118    1518      9365   0.040   0.043   0.015    1518  34.357  0.9464  0.8273   6.28   3.67  0.9994     929  0.2744   1.074
          3.118 -   3.036    1482      9316   0.043   0.046   0.016    1482  31.867  0.9439  0.8486   6.39   3.67  0.9993     933  0.3502   1.038
          3.036 -   2.962    1499      9497   0.048   0.051   0.018    1499  28.245  0.9380  0.8450   6.44   3.70  0.9991     956  0.3482   0.989
          2.962 -   2.895    1528      9728   0.050   0.054   0.018    1528  25.499  0.9538  0.8509   6.46   3.72  0.9995     959  0.3823   0.973
          2.895 -   2.833    1487      9528   0.059   0.063   0.022    1487  22.697  0.9453  0.8749   6.48   3.62  0.9991     937  0.3405   0.964
          2.833 -   2.776    1497      8018   0.073   0.080   0.031    1497  16.904  0.9415  0.8605   5.43   3.07  0.9983     926  0.2221   0.885
          2.776 -   2.724    1488      8658   0.067   0.072   0.027    1488  18.484  0.9418  0.8619   5.89   3.31  0.9989     923  0.2131   0.934
          2.724 -   2.675     854      4906   0.077   0.083   0.030     854  15.717  0.5358  0.4741   5.84   3.36  0.9977     503  0.1462   0.852
          2.675 -   2.630     594      3390   0.084   0.090   0.033     594  14.470  0.3796  0.3319   5.81   3.37  0.9975     353  0.3119   0.943
          2.630 -   2.588    1494      9334   0.081   0.087   0.031    1494  15.082  0.9468  0.8719   6.31   3.51  0.9983     949  0.1752   0.856
          2.588 -   2.548    1493      9351   0.084   0.091   0.032    1493  14.132  0.9479  0.8737   6.33   3.53  0.9987     954  0.1916   0.845
          2.548 -   2.510    1497      9516   0.102   0.110   0.039    1497  12.211  0.9463  0.8820   6.42   3.54  0.9978     963  0.1423   0.843
          2.510 -   2.475    1484      9398   0.101   0.108   0.038    1484  11.715  0.9452  0.8744   6.40   3.55  0.9985     953  0.1875   0.832
          2.475 -   2.442    1477      9441   0.099   0.106   0.037    1477  11.783  0.9426  0.8682   6.46   3.59  0.9982     960  0.2695   0.837
          2.442 -   2.410    1492      9544   0.113   0.122   0.043    1492  10.520  0.9467  0.8768   6.46   3.57  0.9975     965  0.1536   0.814
          2.410 -   2.380    1487      9506   0.131   0.141   0.050    1487   9.620  0.9429  0.8707   6.47   3.60  0.9960     958  0.1192   0.820
          2.380 -   2.351    1488      9504   0.127   0.137   0.048    1488   9.025  0.9472  0.8680   6.46   3.61  0.9970     969  0.0813   0.777
          2.351 -   2.324    1492      9601   0.130   0.140   0.049    1492   9.255  0.9467  0.8669   6.51   3.63  0.9957     976  0.1824   0.794
          2.324 -   2.298    1474      8342   0.164   0.178   0.068    1474   7.166  0.9473  0.8630   5.74   3.21  0.9943     946  0.0532   0.774
          2.298 -   2.273    1492      8296   0.176   0.192   0.074    1492   6.675  0.9419  0.8793   5.63   3.11  0.9922     965  0.1065   0.786
          2.273 -   2.249    1209      6692   0.190   0.206   0.078    1209   5.794  0.7686  0.6832   5.63   3.20  0.9923     737  0.0354   0.726
          2.249 -   2.226    1056      5995   0.198   0.215   0.080    1056   5.840  0.6739  0.6003   5.77   3.28  0.9906     629  0.0426   0.729
          2.226 -   2.204    1482      9117   0.191   0.206   0.075    1482   6.218  0.9464  0.8824   6.22   3.42  0.9912     964  0.0601   0.761
          2.204 -   2.183    1454      9141   0.222   0.239   0.086    1454   5.457  0.9381  0.8767   6.35   3.46  0.9897     951  0.0708   0.746
          2.183 -   2.162    1505      9453   0.220   0.237   0.085    1505   5.446  0.9406  0.8790   6.35   3.49  0.9893     984  0.0686   0.782
          2.162 -   2.142    1447      9265   0.238   0.256   0.092    1447   5.123  0.9366  0.8794   6.46   3.51  0.9860     967  0.0696   0.743
          2.142 -   2.123    1463      9336   0.250   0.269   0.096    1463   4.725  0.9469  0.8864   6.44   3.50  0.9879     974  0.0587   0.745
          2.123 -   2.105    1474      9276   0.279   0.301   0.108    1474   4.312  0.9300  0.8758   6.35   3.48  0.9849     963 -0.0237   0.708
          2.105 -   2.087    1456      9323   0.310   0.334   0.120    1456   3.965  0.9394  0.8867   6.46   3.50  0.9739     966  0.0635   0.739
          2.087 -   2.070    1254      7376   0.367   0.397   0.148    1254   3.097  0.8054  0.7428   5.96   3.28  0.9573     807 -0.0056   0.702
          2.070 -   2.054     723      3997   0.351   0.380   0.141     723   3.138  0.4635  0.4090   5.65   3.24  0.9754     415 -0.0470   0.700
          2.054 -   2.038    1495      9608   0.326   0.350   0.125    1495   3.687  0.9420  0.8962   6.49   3.51  0.9785    1005  0.0112   0.722
          2.038 -   2.022    1441      9397   0.351   0.379   0.136    1441   3.360  0.9303  0.8770   6.57   3.55  0.9752     998  0.0287   0.735
          2.022 -   2.007    1470      9387   0.376   0.405   0.146    1470   3.180  0.9280  0.8688   6.45   3.53  0.9654     993 -0.0159   0.691
          2.007 -   1.992    1405      9154   0.418   0.450   0.161    1405   2.989  0.9177  0.8615   6.57   3.57  0.9599     980 -0.0152   0.737
          1.992 -   1.978    1423      8381   0.444   0.482   0.183    1423   2.650  0.9001  0.8401   5.95   3.25  0.9605     982  0.0310   0.718
          1.978 -   1.964    1388      7537   0.529   0.581   0.232    1388   2.207  0.9001  0.8527   5.48   2.96  0.9481     940  0.0270   0.741
          1.964 -   1.951    1351      7019   0.614   0.677   0.278    1351   1.918  0.8644  0.8222   5.25   2.85  0.9409     922  0.0354   0.737
          1.951 -   1.938    1363      6737   0.711   0.789   0.332    1363   1.634  0.8760  0.8282   5.00   2.70  0.9009     884 -0.0401   0.721
          1.938 -   1.925    1333      6318   0.826   0.921   0.397    1333   1.371  0.8512  0.8127   4.80   2.59  0.8467     841 -0.0280   0.675
          1.925 -   1.913    1329      5983   0.819   0.920   0.406    1329   1.448  0.8481  0.7936   4.57   2.48  0.8042     775 -0.0160   0.723
          1.913 -   1.901    1283      5524   0.945   1.066   0.479    1283   1.168  0.8246  0.7739   4.38   2.39  0.8446     728  0.0081   0.729
          1.901 -   1.889    1295      5363   1.104   1.251   0.572    1295   1.009  0.8280  0.7640   4.22   2.31  0.7794     700 -0.0584   0.715
          1.889 -   1.877    1299      5136   1.080   1.230   0.573    1299   1.042  0.8253  0.7505   4.05   2.25  0.7597     661  0.0365   0.750
          1.877 -   1.866    1258      4710   1.097   1.258   0.598    1258   0.951  0.8090  0.7248   3.86   2.16  0.7356     592 -0.0063   0.720
          1.866 -   1.855    1253      4548   1.243   1.435   0.695    1253   0.810  0.8168  0.7287   3.74   2.10  0.6825     566 -0.0294   0.715
          1.855 -   1.844    1278      4459   1.373   1.588   0.777    1278   0.726  0.8109  0.7142   3.61   2.04  0.6820     549 -0.0216   0.675
          1.844 -   1.834    1232      4134   1.435   1.670   0.830    1232   0.681  0.8079  0.7087   3.49   1.97  0.6490     503  0.0982   0.703
          1.834 -   1.824    1233      3974   1.786   2.095   1.063    1233   0.525  0.7819  0.6898   3.36   1.89  0.5503     487  0.0125   0.706
          1.824 -   1.814    1241      3822   1.735   2.037   1.037    1241   0.546  0.8006  0.6863   3.23   1.85  0.6041     460  0.0078   0.684
          1.814 -   1.804    1208      3566   1.787   2.117   1.102    1208   0.506  0.7754  0.6600   3.12   1.80  0.5487     400 -0.0020   0.712
          1.804 -   1.794    1201      3398   2.702   3.219   1.698    1201   0.322  0.7839  0.6595   3.00   1.73  0.3640     361  0.0162   0.683
          1.794 -   1.785    1226      3329   2.195   2.627   1.402    1226   0.389  0.7672  0.6388   2.91   1.71  0.3745     339 -0.0151   0.697
          1.785 -   1.776    1173      2980   2.535   3.050   1.648    1173   0.299  0.7592  0.6078   2.76   1.65  0.2818     268  0.0421   0.679
          1.776 -   1.767    1159      2868   2.459   2.979   1.634    1159   0.319  0.7541  0.5897   2.71   1.63  0.2846     260  0.0051   0.696
          1.767 -   1.758    1177      2805   2.483   3.013   1.658    1177   0.317  0.7464  0.5761   2.63   1.61  0.2081     250  0.0352   0.724
          1.758 -   1.749    1146      2643   2.480   3.028   1.690    1146   0.310  0.7398  0.5637   2.57   1.57  0.3367     218  0.0139   0.726
          1.749 -   1.741    1140      2461   3.062   3.752   2.111    1140   0.227  0.7303  0.5382   2.45   1.53  0.2858     196  0.0012   0.693
          1.741 -   1.732    1095      2349   3.228   3.967   2.246    1095   0.235  0.7185  0.5292   2.44   1.52  0.2026     188 -0.1303   0.664
          1.732 -   1.724    1128      2273   3.974   4.870   2.750    1128   0.180  0.7180  0.4987   2.34   1.50  0.1617     153  0.1645   0.671
          1.724 -   1.716    1088      2065   3.421   4.264   2.490    1088   0.176  0.7001  0.4811   2.23   1.44  0.0559     128 -0.1056   0.676
          1.716 -   1.708    1102      1964   3.455   4.323   2.546    1102   0.136  0.7042  0.4556   2.15   1.43  0.0579     112 -0.1322   0.676
          1.708 -   1.700    1077      1816   4.841   6.101   3.641    1077   0.125  0.6966  0.4396   2.07   1.38  0.1428      85 -0.0187   0.671
          1.700 -   1.693    1039      1605   3.623   4.576   2.747    1039   0.153  0.6751  0.3939   1.97   1.36  0.1682      63 -0.1885   0.662
          1.693 -   1.685    1069      1607   4.209   5.382   3.301    1069   0.086  0.6774  0.3901   1.93   1.32  0.0715      47  0.0110   0.674
          1.685 -   1.678    1005      1400   4.235   5.423   3.340    1005   0.097  0.6616  0.3630   1.85   1.29  0.1225      32 -0.1465   0.666
          1.678 -   1.671    1001      1280   4.710   6.138   3.884    1001   0.102  0.6315  0.3268   1.76   1.25  0.0479      22  0.1109   0.715
          1.671 -   1.664     975      1222   4.553   5.915   3.726     975   0.071  0.6294  0.3167   1.74   1.25  0.0478      20  0.0903   0.684
          1.664 -   1.657     938      1072   5.733   7.491   4.761     938   0.062  0.5986  0.2792   1.67   1.23 -0.0005      15 -0.0556   0.734
          1.657 -   1.650     858       964   4.168   5.433   3.441     858   0.071  0.5619  0.2566   1.66   1.23  0.0574      19  0.4653   0.695
          1.650 -   1.643     837       903   7.006   9.164   5.834     837   0.071  0.5417  0.2389   1.63   1.22  0.0166       9 -0.3033   0.702
          1.643 -   1.637     795       822   3.839   5.056   3.252     795   0.051  0.5041  0.2204   1.60   1.20  0.0253      12  0.1771   0.755
          1.637 -   1.630     764       790   4.539   5.999   3.877     764   0.038  0.4948  0.2133   1.59   1.19  0.0500      10  0.4403   0.639
          1.630 -   1.624     713       728   5.826   7.785   5.115     713   0.026  0.4657  0.2030   1.58   1.17 -0.0573       6  0.1026   0.741
          1.624 -   1.617     675       627  31.142  41.255  26.783     675  -0.064  0.4299  0.1678   1.53   1.18  0.0169       4  0.9471   0.689
          1.617 -   1.611     645       615   8.034  10.785   7.134     645  -0.059  0.4191  0.1747   1.53   1.15 -0.0582       5  0.3881   0.707
          1.611 -   1.605     577       492  11.040  14.775   9.737     577  -0.104  0.3737  0.1381   1.48   1.14  0.0046       0  0.0000   0.600
          1.605 -   1.599     554       456   6.556   8.888   5.960     554  -0.005  0.3547  0.1285   1.45   1.13 -0.2362       0  0.0000   0.757
          1.599 -   1.593     486       351   0.000   0.000   0.000     486  -0.119  0.3138  0.0999   1.39   1.10 -0.0878       0  0.0000   0.716
          1.593 -   1.587     473       343  30.202  41.343  28.084     473  -0.113  0.3052  0.1018   1.39   1.08 -0.0374       0  0.0000   0.669
          1.587 -   1.581     404       256  99.999  99.999  99.999     404  -0.105  0.2630  0.0769   1.34   1.07 -0.0708       0  0.0000   0.699
          1.581 -   1.576     315       188   0.000   0.000   0.000     315  -0.264  0.2000  0.0573   1.31   1.05 -0.0323       0  0.0000   0.599
          1.576 -   1.570     254       123   0.000   0.000   0.000     254  -0.433  0.1636  0.0360   1.26   1.07 -0.0221       0  0.0000   0.603
          1.570 -   1.565     233       109   0.000   0.000   0.000     233  -0.390  0.1519  0.0333   1.24   1.01 -0.5012       0  0.0000   0.810
          1.565 -   1.559     180        60   0.000   0.000   0.000     180  -0.402  0.1149  0.0182   1.17   1.00 -0.0052       0  0.0000   0.541
          1.559 -   1.554     139        38   0.000   0.000   0.000     139  -0.443  0.0916  0.0124   1.14   1.00 -0.1621       0  0.0000   0.541
          1.554 -   1.548     113        24   0.000   0.000   0.000     113  -0.385  0.0725  0.0076   1.11   1.00 -0.0672       0  0.0000   0.725
          1.548 -   1.543      57         8   0.000   0.000   0.000      57  -0.524  0.0366  0.0027   1.07   1.00 -0.7132       0  0.0000   0.879
          1.543 -   1.538      11         0   0.000   0.000   0.000      11  -0.100  0.0070  0.0000   1.00   0.00  0.0000       0  0.0000   0.000
 ------------------------------------------------------------------------------------------------------------------------------------------------
 Total:  98.682 -   1.538  114917    534818   0.049   0.054   0.021  114917  13.769  0.7319  0.6044   4.82   2.90  0.9996   54476  0.3674   0.836


 resolution limit based on CC(Ano)      <   0.3000  =    2.8938
 resolution limit based on SigAno       <   1.1000  =    3.2824
 recommended resolution cut based on I/sigI       <    2.000  (precise) =    1.9264
 recommended resolution cut based on I/sigI       <    2.000  (rounded) =    1.95
  RESOLUTION  98.6820   1.9264



 Number of active ice-rings within this resolution range =  0

 Criteria used in determination of resolution cut:
 ------------------------------------------------- 
    Rpim           <=    0.6000
    I/sigI         >=    2.00
    CC(1/2)        >=    0.3000

                                              Overall  InnerShell  OuterShell
  ---------------------------------------------------------------------------
     Low resolution limit                      98.682      98.682       1.543
     High resolution limit                      1.538       7.138       1.538


     Rmerge  (all I+ & I-)                      0.049       0.017       0.000
     Rmerge  (within I+/I-)                     0.044       0.011       0.000
     Rmeas   (all I+ & I-)                      0.054       0.018       0.000
     Rmeas   (within I+/I-)                     0.052       0.013       0.000
     Rpim    (all I+ & I-)                      0.021       0.007       0.000
     Rpim    (within I+/I-)                     0.026       0.006       0.000
     Total number of observations              554211        8960          11
     Total number unique                       114917        1579          11
     Mean(I)/sd(I)                               13.8        79.7        -0.1
     Completeness                                73.2        87.3         0.7
     Multiplicity                                 4.8         5.7         1.0
     CC(1/2)                                    1.000       1.000         NA 


     Anomalous completeness                      60.4        77.7         0.0
     Anomalous multiplicity                       2.9         3.6         0.0
     CC(ano)                                    0.367       0.792         NA 
     |DANO|/sd(DANO)                            0.836       1.637       0.000



 W0 = unweighted
 W1 = 1/(sigI**2) weighted

 ---------------------------------------------------------------------------------------------------------------------------------------------------
                                  merged                         Rmerge            Rmeas              Rpim                  Completeness 
                            --------------------            ----------------  ----------------  ----------------  ----------------------------------
    BATCH     Nref <I/sigI>      <I>    <I/sigI>     #ref      W0      W1        W0      W1        W0      W1         All     Ano      -All    -Ano  
 ---------------------------------------------------------------------------------------------------------------------------------------------------
        1      365   10.429   3.357E+02   10.446      363    0.0489  0.1083    0.0519  0.1158    0.0170  0.0398    0.0023  0.0000    0.7341  0.6063
        2     1390    9.604   3.133E+02    9.632     1387    0.0432  0.1190    0.0465  0.1292    0.0165  0.0484    0.0111  0.0000    0.7341  0.6063
        3     1492    9.442   3.134E+02    9.436     1482    0.0410  0.1204    0.0442  0.1318    0.0158  0.0512    0.0201  0.0003    0.7341  0.6061
        4     1590    8.820   2.560E+02    8.837     1586    0.0461  0.1132    0.0497  0.1238    0.0179  0.0480    0.0295  0.0006    0.7340  0.6060
        5     1490    9.117   2.836E+02    9.130     1486    0.0408  0.1129    0.0440  0.1236    0.0158  0.0480    0.0381  0.0010    0.7340  0.6058
        6     1588    9.061   2.685E+02    9.070     1580    0.0448  0.1130    0.0483  0.1239    0.0175  0.0484    0.0469  0.0016    0.7339  0.6056
        7     1500    8.854   2.808E+02    8.878     1486    0.0456  0.1165    0.0494  0.1280    0.0181  0.0505    0.0551  0.0021    0.7339  0.6054
        8     1593    8.947   2.910E+02    8.941     1579    0.0455  0.1153    0.0490  0.1269    0.0176  0.0503    0.0640  0.0028    0.7338  0.6052
        9     1530    9.029   2.987E+02    9.061     1513    0.0457  0.1168    0.0494  0.1283    0.0180  0.0505    0.0719  0.0035    0.7337  0.6050
       10     1571    8.921   2.780E+02    8.947     1558    0.0435  0.1140    0.0469  0.1251    0.0169  0.0490    0.0802  0.0042    0.7336  0.6049
       11     1557    8.901   2.716E+02    8.919     1547    0.0453  0.1185    0.0488  0.1303    0.0175  0.0517    0.0881  0.0050    0.7335  0.6047
       12     1602    9.174   2.930E+02    9.209     1588    0.0438  0.1139    0.0473  0.1256    0.0172  0.0503    0.0960  0.0058    0.7334  0.6045
       13     1546    9.263   2.764E+02    9.313     1531    0.0462  0.1124    0.0499  0.1241    0.0183  0.0500    0.1035  0.0068    0.7333  0.6043
       14     1539    8.650   2.535E+02    8.667     1531    0.0470  0.1153    0.0506  0.1269    0.0182  0.0503    0.1107  0.0078    0.7332  0.6040
       15     1573    9.277   2.899E+02    9.324     1557    0.0438  0.1146    0.0473  0.1264    0.0171  0.0506    0.1178  0.0091    0.7331  0.6037
       16     1517    9.219   2.822E+02    9.252     1508    0.0443  0.1162    0.0478  0.1277    0.0173  0.0505    0.1245  0.0102    0.7330  0.6035
       17     1546    9.173   3.003E+02    9.188     1534    0.0436  0.1153    0.0470  0.1266    0.0170  0.0500    0.1314  0.0113    0.7330  0.6032
       18     1580    8.870   2.759E+02    8.892     1568    0.0482  0.1197    0.0520  0.1317    0.0188  0.0524    0.1379  0.0127    0.7329  0.6030
       19     1517    9.319   3.038E+02    9.350     1506    0.0431  0.1106    0.0465  0.1213    0.0168  0.0477    0.1442  0.0140    0.7328  0.6027
       20     1613    8.690   3.393E+02    8.714     1594    0.0456  0.1191    0.0492  0.1308    0.0178  0.0516    0.1507  0.0153    0.7327  0.6025
       21     1540    9.242   3.037E+02    9.270     1530    0.0436  0.1146    0.0470  0.1257    0.0167  0.0492    0.1567  0.0169    0.7326  0.6022
       22     1561    9.362   3.134E+02    9.406     1548    0.0407  0.1078    0.0440  0.1179    0.0161  0.0458    0.1625  0.0183    0.7325  0.6019
       23     1606    8.989   3.008E+02    9.014     1591    0.0406  0.1162    0.0439  0.1280    0.0161  0.0511    0.1687  0.0197    0.7324  0.6017
       24     1521    9.531   3.082E+02    9.564     1509    0.0416  0.1138    0.0447  0.1243    0.0159  0.0479    0.1741  0.0213    0.7323  0.6013
       25     1531    8.536   2.502E+02    8.609     1519    0.0491  0.1182    0.0530  0.1297    0.0192  0.0509    0.1795  0.0227    0.7322  0.6011
       26     1547    9.162   2.709E+02    9.187     1529    0.0460  0.1131    0.0495  0.1236    0.0177  0.0479    0.1847  0.0243    0.7322  0.6008
       27     1535    9.275   2.984E+02    9.339     1518    0.0403  0.1051    0.0435  0.1156    0.0156  0.0457    0.1899  0.0258    0.7320  0.6006
       28     1571    9.005   2.974E+02    9.014     1557    0.0394  0.1131    0.0424  0.1240    0.0152  0.0484    0.1950  0.0274    0.7319  0.6003
       29     1566    9.247   2.819E+02    9.276     1545    0.0437  0.1106    0.0471  0.1218    0.0169  0.0486    0.2000  0.0291    0.7318  0.6000
       30     1586    8.990   2.949E+02    9.023     1576    0.0398  0.1124    0.0431  0.1236    0.0158  0.0490    0.2051  0.0308    0.7316  0.5997
       31     1592    8.909   3.255E+02    8.939     1568    0.0444  0.1184    0.0478  0.1301    0.0171  0.0514    0.2099  0.0325    0.7316  0.5993
       32     1527    8.700   2.740E+02    8.726     1509    0.0449  0.1199    0.0484  0.1315    0.0176  0.0518    0.2146  0.0342    0.7314  0.5989
       33     1580    8.773   2.803E+02    8.807     1567    0.0426  0.1197    0.0459  0.1312    0.0166  0.0512    0.2193  0.0360    0.7313  0.5986
       34     1548    8.553   2.749E+02    8.560     1523    0.0442  0.1182    0.0479  0.1299    0.0175  0.0516    0.2238  0.0379    0.7312  0.5982
       35     1587    9.040   2.824E+02    9.078     1571    0.0464  0.1170    0.0500  0.1280    0.0178  0.0496    0.2285  0.0398    0.7310  0.5979
       36     1493    8.995   3.045E+02    8.970     1471    0.0405  0.1122    0.0436  0.1231    0.0157  0.0485    0.2326  0.0417    0.7309  0.5975
       37     1580    8.693   2.664E+02    8.717     1554    0.0470  0.1188    0.0507  0.1301    0.0181  0.0507    0.2371  0.0436    0.7307  0.5972
       38     1485    9.166   2.872E+02    9.168     1470    0.0452  0.1129    0.0489  0.1245    0.0179  0.0499    0.2410  0.0456    0.7306  0.5968
       39     1616    9.314   2.888E+02    9.330     1593    0.0425  0.1114    0.0460  0.1228    0.0168  0.0492    0.2455  0.0477    0.7305  0.5964
       40     1534    8.969   2.696E+02    8.982     1517    0.0429  0.1120    0.0463  0.1227    0.0166  0.0478    0.2494  0.0497    0.7303  0.5960
       41     1564    8.688   2.698E+02    8.692     1544    0.0443  0.1149    0.0478  0.1260    0.0172  0.0492    0.2535  0.0518    0.7301  0.5955
       42     1572    9.023   3.184E+02    9.065     1549    0.0460  0.1109    0.0496  0.1214    0.0178  0.0471    0.2573  0.0541    0.7300  0.5952
       43     1580    9.179   2.903E+02    9.203     1551    0.0417  0.1109    0.0451  0.1218    0.0164  0.0482    0.2614  0.0561    0.7298  0.5947
       44     1545    8.743   2.627E+02    8.762     1517    0.0471  0.1167    0.0509  0.1289    0.0185  0.0517    0.2651  0.0583    0.7296  0.5943
       45     1546    8.894   2.634E+02    8.908     1527    0.0436  0.1151    0.0471  0.1266    0.0171  0.0504    0.2690  0.0605    0.7294  0.5939
       46     1588    8.659   2.776E+02    8.664     1562    0.0423  0.1161    0.0456  0.1277    0.0166  0.0507    0.2728  0.0628    0.7292  0.5934
       47     1539    8.626   2.938E+02    8.649     1524    0.0425  0.1166    0.0460  0.1283    0.0167  0.0509    0.2765  0.0649    0.7290  0.5930
       48     1576    9.197   3.010E+02    9.244     1552    0.0449  0.1125    0.0485  0.1235    0.0177  0.0486    0.2804  0.0673    0.7288  0.5926
       49     1529    8.421   2.453E+02    8.449     1508    0.0507  0.1243    0.0548  0.1372    0.0198  0.0552    0.2839  0.0696    0.7286  0.5922
       50     1581    8.731   2.618E+02    8.748     1555    0.0458  0.1185    0.0495  0.1307    0.0182  0.0524    0.2876  0.0720    0.7284  0.5917
       51     1596    9.648   3.056E+02    9.679     1575    0.0418  0.1069    0.0453  0.1180    0.0166  0.0472    0.2913  0.0742    0.7282  0.5913
       52     1526    9.153   2.968E+02    9.170     1508    0.0431  0.1101    0.0465  0.1207    0.0169  0.0471    0.2946  0.0766    0.7280  0.5908
       53     1508    9.188   3.099E+02    9.191     1480    0.0425  0.1082    0.0459  0.1190    0.0167  0.0471    0.2979  0.0788    0.7278  0.5903
       54     1525    9.028   2.954E+02    9.021     1507    0.0425  0.1164    0.0459  0.1281    0.0167  0.0508    0.3011  0.0813    0.7276  0.5898
       55     1604    9.118   3.128E+02    9.127     1582    0.0440  0.1168    0.0474  0.1284    0.0170  0.0507    0.3047  0.0837    0.7274  0.5893
       56     1523    8.958   2.966E+02    8.999     1503    0.0412  0.1112    0.0446  0.1225    0.0165  0.0489    0.3080  0.0861    0.7272  0.5888
       57     1529    8.536   2.708E+02    8.561     1507    0.0457  0.1146    0.0494  0.1264    0.0181  0.0506    0.3113  0.0884    0.7270  0.5882
       58     1619    8.935   2.974E+02    8.956     1592    0.0453  0.1141    0.0492  0.1262    0.0182  0.0511    0.3150  0.0909    0.7268  0.5877
       59     1536    9.087   2.674E+02    9.117     1508    0.0457  0.1134    0.0495  0.1254    0.0182  0.0507    0.3181  0.0933    0.7265  0.5871
       60     1540    8.192   2.642E+02    8.186     1518    0.0462  0.1268    0.0501  0.1399    0.0185  0.0562    0.3214  0.0957    0.7263  0.5866
       61     1521    8.649   2.685E+02    8.660     1499    0.0478  0.1202    0.0517  0.1323    0.0188  0.0526    0.3243  0.0981    0.7261  0.5860
       62     1658    9.335   2.943E+02    9.334     1629    0.0451  0.1104    0.0486  0.1213    0.0175  0.0478    0.3277  0.1006    0.7259  0.5854
       63     1571    9.068   3.017E+02    9.081     1542    0.0425  0.1099    0.0459  0.1209    0.0168  0.0477    0.3309  0.1032    0.7256  0.5848
       64     1562    8.589   2.654E+02    8.618     1529    0.0464  0.1165    0.0502  0.1281    0.0184  0.0509    0.3341  0.1057    0.7254  0.5843
       65     1521    8.638   3.021E+02    8.670     1509    0.0435  0.1232    0.0471  0.1361    0.0173  0.0546    0.3371  0.1080    0.7251  0.5837
       66     1575    9.274   3.008E+02    9.296     1544    0.0441  0.1134    0.0477  0.1254    0.0173  0.0506    0.3402  0.1106    0.7248  0.5830
       67     1534    8.902   2.874E+02    8.906     1502    0.0452  0.1191    0.0489  0.1310    0.0177  0.0516    0.3432  0.1129    0.7245  0.5823
       68     1499    7.921   2.397E+02    7.937     1480    0.0506  0.1252    0.0548  0.1385    0.0201  0.0559    0.3461  0.1154    0.7242  0.5817
       69     1531    8.870   2.811E+02    8.883     1507    0.0474  0.1140    0.0512  0.1258    0.0186  0.0503    0.3491  0.1178    0.7240  0.5809
       70     1567    8.577   2.780E+02    8.576     1547    0.0499  0.1245    0.0540  0.1378    0.0198  0.0558    0.3520  0.1203    0.7237  0.5803
       71     1583    8.989   3.016E+02    8.991     1550    0.0446  0.1213    0.0482  0.1337    0.0175  0.0535    0.3549  0.1226    0.7235  0.5795
       72     1571    8.777   2.893E+02    8.784     1539    0.0450  0.1227    0.0487  0.1356    0.0178  0.0547    0.3579  0.1253    0.7232  0.5788
       73     1511    9.654   3.365E+02    9.657     1500    0.0408  0.1079    0.0442  0.1189    0.0161  0.0474    0.3605  0.1278    0.7229  0.5782
       74     1551    8.026   2.601E+02    8.035     1538    0.0494  0.1335    0.0534  0.1473    0.0195  0.0588    0.3634  0.1303    0.7226  0.5775
       75     1513    8.915   2.705E+02    8.921     1494    0.0441  0.1126    0.0477  0.1242    0.0175  0.0496    0.3659  0.1328    0.7224  0.5767
       76     1605    8.903   2.844E+02    8.925     1575    0.0456  0.1186    0.0493  0.1313    0.0180  0.0531    0.3688  0.1355    0.7221  0.5760
       77     1508    8.371   2.722E+02    8.409     1496    0.0478  0.1257    0.0518  0.1386    0.0191  0.0554    0.3716  0.1378    0.7218  0.5752
       78     1543    9.119   2.788E+02    9.120     1528    0.0438  0.1109    0.0474  0.1224    0.0172  0.0488    0.3740  0.1403    0.7216  0.5743
       79     1523    8.451   2.610E+02    8.485     1504    0.0455  0.1193    0.0494  0.1321    0.0183  0.0535    0.3765  0.1427    0.7213  0.5735
       80     1589    8.480   2.755E+02    8.494     1559    0.0429  0.1168    0.0464  0.1290    0.0169  0.0521    0.3793  0.1452    0.7209  0.5726
       81     1556    8.613   2.572E+02    8.588     1543    0.0463  0.1250    0.0501  0.1380    0.0183  0.0551    0.3821  0.1475    0.7206  0.5719
       82     1567    7.979   2.340E+02    8.020     1551    0.0516  0.1256    0.0562  0.1394    0.0210  0.0568    0.3846  0.1499    0.7204  0.5711
       83     1563    8.849   2.855E+02    8.851     1546    0.0478  0.1215    0.0517  0.1346    0.0188  0.0548    0.3872  0.1523    0.7201  0.5701
       84     1591    8.600   2.943E+02    8.611     1561    0.0404  0.1160    0.0438  0.1287    0.0161  0.0526    0.3899  0.1547    0.7197  0.5693
       85     1587    9.104   2.976E+02    9.103     1575    0.0411  0.1136    0.0445  0.1253    0.0163  0.0501    0.3924  0.1572    0.7193  0.5684
       86     1505    8.152   2.533E+02    8.160     1493    0.0468  0.1238    0.0506  0.1367    0.0184  0.0546    0.3948  0.1596    0.7190  0.5674
       87     1537    8.424   2.586E+02    8.442     1515    0.0471  0.1183    0.0509  0.1310    0.0184  0.0530    0.3973  0.1618    0.7188  0.5666
       88     1561    8.345   2.378E+02    8.376     1529    0.0517  0.1200    0.0560  0.1325    0.0204  0.0528    0.3997  0.1642    0.7184  0.5655
       89     1563    8.734   2.813E+02    8.775     1552    0.0459  0.1194    0.0497  0.1327    0.0184  0.0547    0.4024  0.1666    0.7179  0.5647
       90     1584    8.594   2.758E+02    8.622     1568    0.0452  0.1226    0.0489  0.1357    0.0177  0.0550    0.4048  0.1690    0.7177  0.5637
       91     1612    8.883   2.845E+02    8.887     1594    0.0436  0.1180    0.0473  0.1304    0.0173  0.0523    0.4073  0.1714    0.7174  0.5626
       92     1562    8.361   2.466E+02    8.374     1540    0.0487  0.1216    0.0530  0.1352    0.0197  0.0555    0.4096  0.1738    0.7170  0.5616
       93     1512    8.306   2.303E+02    8.341     1499    0.0539  0.1201    0.0587  0.1334    0.0219  0.0546    0.4121  0.1760    0.7165  0.5605
       94     1562    8.748   2.774E+02    8.793     1545    0.0448  0.1182    0.0485  0.1304    0.0177  0.0518    0.4144  0.1782    0.7162  0.5595
       95     1546    8.521   2.754E+02    8.553     1525    0.0449  0.1239    0.0490  0.1368    0.0185  0.0549    0.4166  0.1805    0.7159  0.5587
       96     1590    8.552   2.608E+02    8.584     1576    0.0461  0.1205    0.0501  0.1345    0.0187  0.0562    0.4188  0.1828    0.7155  0.5577
       97     1544    8.472   2.721E+02    8.485     1533    0.0474  0.1224    0.0514  0.1356    0.0190  0.0548    0.4212  0.1848    0.7150  0.5565
       98     1562    8.293   2.400E+02    8.310     1539    0.0538  0.1239    0.0584  0.1376    0.0216  0.0565    0.4236  0.1871    0.7147  0.5554
       99     1559    8.544   2.564E+02    8.581     1536    0.0483  0.1192    0.0525  0.1326    0.0196  0.0546    0.4260  0.1893    0.7143  0.5544
      100     1549    8.313   2.589E+02    8.326     1532    0.0492  0.1221    0.0535  0.1355    0.0200  0.0554    0.4282  0.1917    0.7139  0.5532
      101     1596    8.774   2.774E+02    8.766     1579    0.0470  0.1175    0.0509  0.1299    0.0187  0.0524    0.4305  0.1939    0.7134  0.5521
      102     1536    8.913   2.963E+02    8.936     1511    0.0427  0.1141    0.0462  0.1269    0.0169  0.0523    0.4325  0.1961    0.7129  0.5510
      103     1513    8.398   2.539E+02    8.390     1500    0.0489  0.1186    0.0530  0.1313    0.0195  0.0528    0.4344  0.1983    0.7125  0.5500
      104     1567    8.101   2.246E+02    8.105     1547    0.0525  0.1237    0.0570  0.1373    0.0210  0.0561    0.4365  0.2006    0.7120  0.5489
      105     1520    8.076   2.265E+02    8.141     1505    0.0509  0.1195    0.0553  0.1330    0.0206  0.0549    0.4386  0.2026    0.7115  0.5477
      106     1572    8.859   2.653E+02    8.848     1543    0.0489  0.1168    0.0528  0.1292    0.0190  0.0521    0.4409  0.2048    0.7111  0.5464
      107     1613    8.989   2.724E+02    8.987     1599    0.0444  0.1114    0.0483  0.1236    0.0179  0.0505    0.4429  0.2073    0.7105  0.5454
      108     1584    8.422   2.670E+02    8.476     1570    0.0461  0.1212    0.0500  0.1347    0.0185  0.0555    0.4450  0.2095    0.7099  0.5443
      109     1587    8.452   2.570E+02    8.479     1565    0.0462  0.1141    0.0502  0.1272    0.0186  0.0529    0.4470  0.2117    0.7094  0.5431
      110     1493    8.435   2.666E+02    8.445     1469    0.0471  0.1200    0.0509  0.1324    0.0185  0.0529    0.4487  0.2138    0.7089  0.5417
      111     1480    8.735   2.715E+02    8.778     1469    0.0487  0.1153    0.0528  0.1279    0.0194  0.0521    0.4504  0.2161    0.7084  0.5407
      112     1570    8.843   2.751E+02    8.820     1550    0.0475  0.1151    0.0516  0.1281    0.0191  0.0529    0.4523  0.2185    0.7077  0.5398
      113     1592    8.319   2.566E+02    8.352     1563    0.0467  0.1165    0.0508  0.1296    0.0188  0.0534    0.4546  0.2204    0.7070  0.5386
      114     1612    8.238   2.690E+02    8.253     1586    0.0448  0.1218    0.0487  0.1355    0.0180  0.0559    0.4566  0.2227    0.7064  0.5374
      115     1595    8.865   2.688E+02    8.885     1572    0.0480  0.1147    0.0520  0.1275    0.0189  0.0525    0.4585  0.2251    0.7058  0.5360
      116     1538    8.536   2.553E+02    8.561     1521    0.0463  0.1172    0.0505  0.1302    0.0189  0.0535    0.4602  0.2274    0.7051  0.5350
      117     1523    8.448   2.626E+02    8.503     1500    0.0474  0.1196    0.0513  0.1325    0.0188  0.0537    0.4619  0.2296    0.7043  0.5339
      118     1569    8.514   2.663E+02    8.521     1545    0.0482  0.1222    0.0522  0.1354    0.0193  0.0551    0.4637  0.2318    0.7037  0.5327
      119     1526    8.058   2.467E+02    8.079     1499    0.0490  0.1256    0.0532  0.1392    0.0197  0.0564    0.4653  0.2339    0.7031  0.5314
      120     1582    8.808   2.735E+02    8.832     1565    0.0433  0.1119    0.0470  0.1250    0.0175  0.0524    0.4672  0.2361    0.7024  0.5301
      121     1597    8.421   2.476E+02    8.438     1572    0.0481  0.1194    0.0521  0.1325    0.0192  0.0542    0.4692  0.2381    0.7016  0.5289
      122     1497    8.541   2.716E+02    8.563     1470    0.0441  0.1178    0.0479  0.1305    0.0178  0.0532    0.4710  0.2402    0.7009  0.5278
      123     1647    8.198   2.615E+02    8.217     1629    0.0465  0.1231    0.0507  0.1374    0.0190  0.0573    0.4728  0.2426    0.7002  0.5267
      124     1583    8.534   2.549E+02    8.532     1569    0.0462  0.1197    0.0502  0.1336    0.0187  0.0556    0.4743  0.2449    0.6994  0.5253
      125     1528    8.329   2.653E+02    8.357     1496    0.0440  0.1187    0.0476  0.1316    0.0174  0.0535    0.4759  0.2470    0.6986  0.5239
      126     1489    8.665   2.475E+02    8.687     1470    0.0474  0.1145    0.0516  0.1268    0.0194  0.0516    0.4773  0.2490    0.6978  0.5227
      127     1575    8.528   2.771E+02    8.569     1558    0.0415  0.1151    0.0452  0.1286    0.0170  0.0541    0.4790  0.2514    0.6971  0.5217
      128     1584    7.979   2.473E+02    7.993     1565    0.0477  0.1278    0.0522  0.1432    0.0201  0.0610    0.4807  0.2536    0.6962  0.5205
      129     1522    8.741   2.690E+02    8.752     1495    0.0461  0.1187    0.0501  0.1313    0.0186  0.0529    0.4823  0.2555    0.6953  0.5190
      130     1540    8.198   2.451E+02    8.233     1514    0.0468  0.1144    0.0509  0.1272    0.0189  0.0522    0.4839  0.2576    0.6945  0.5176
      131     1530    8.517   2.742E+02    8.552     1504    0.0444  0.1189    0.0482  0.1322    0.0179  0.0543    0.4854  0.2599    0.6937  0.5165
      132     1580    8.359   2.548E+02    8.388     1557    0.0465  0.1180    0.0507  0.1312    0.0191  0.0541    0.4867  0.2624    0.6928  0.5154
      133     1558    8.427   2.642E+02    8.433     1532    0.0442  0.1205    0.0478  0.1332    0.0175  0.0536    0.4882  0.2644    0.6919  0.5141
      134     1609    8.558   2.767E+02    8.565     1588    0.0421  0.1154    0.0457  0.1286    0.0169  0.0533    0.4899  0.2664    0.6911  0.5127
      135     1517    8.093   2.607E+02    8.120     1498    0.0444  0.1249    0.0484  0.1398    0.0183  0.0590    0.4914  0.2687    0.6903  0.5111
      136     1609    8.211   2.371E+02    8.223     1580    0.0514  0.1184    0.0561  0.1322    0.0212  0.0551    0.4929  0.2710    0.6894  0.5099
      137     1509    8.403   2.278E+02    8.446     1482    0.0490  0.1127    0.0532  0.1253    0.0197  0.0515    0.4944  0.2730    0.6883  0.5086
      138     1564    8.138   2.532E+02    8.174     1535    0.0485  0.1269    0.0527  0.1406    0.0197  0.0570    0.4957  0.2750    0.6875  0.5072
      139     1532    8.751   2.879E+02    8.750     1514    0.0416  0.1188    0.0451  0.1317    0.0166  0.0537    0.4968  0.2772    0.6865  0.5057
      140     1591    7.992   2.402E+02    7.986     1564    0.0472  0.1202    0.0515  0.1347    0.0194  0.0571    0.4983  0.2797    0.6856  0.5044
      141     1597    8.127   2.510E+02    8.173     1578    0.0448  0.1244    0.0488  0.1382    0.0182  0.0567    0.4998  0.2817    0.6844  0.5030
      142     1517    8.698   2.757E+02    8.779     1490    0.0434  0.1093    0.0473  0.1221    0.0177  0.0511    0.5013  0.2838    0.6836  0.5017
      143     1577    8.187   2.555E+02    8.200     1541    0.0481  0.1243    0.0521  0.1381    0.0190  0.0567    0.5027  0.2858    0.6827  0.5003
      144     1609    7.816   2.436E+02    7.807     1583    0.0472  0.1248    0.0514  0.1388    0.0194  0.0574    0.5040  0.2881    0.6816  0.4989
      145     1539    9.264   2.933E+02    9.269     1514    0.0428  0.1123    0.0465  0.1246    0.0171  0.0508    0.5052  0.2902    0.6803  0.4973
      146     1495    7.831   2.145E+02    7.856     1470    0.0524  0.1224    0.0572  0.1366    0.0216  0.0570    0.5066  0.2921    0.6793  0.4959
      147     1511    8.063   2.373E+02    8.078     1483    0.0490  0.1243    0.0535  0.1386    0.0202  0.0579    0.5079  0.2944    0.6786  0.4945
      148     1622    8.284   2.582E+02    8.311     1603    0.0464  0.1241    0.0506  0.1382    0.0190  0.0571    0.5091  0.2967    0.6775  0.4931
      149     1560    8.208   2.559E+02    8.221     1538    0.0469  0.1253    0.0512  0.1408    0.0194  0.0605    0.5105  0.2987    0.6762  0.4917
      150     1522    8.096   2.227E+02    8.114     1500    0.0510  0.1215    0.0554  0.1354    0.0207  0.0563    0.5117  0.3005    0.6751  0.4899
      151     1520    8.613   2.612E+02    8.638     1494    0.0474  0.1181    0.0514  0.1308    0.0190  0.0532    0.5128  0.3025    0.6742  0.4884
      152     1614    7.797   2.199E+02    7.794     1583    0.0520  0.1277    0.0566  0.1425    0.0213  0.0595    0.5141  0.3047    0.6732  0.4869
      153     1622    8.002   2.492E+02    8.013     1601    0.0470  0.1273    0.0513  0.1419    0.0194  0.0590    0.5155  0.3068    0.6719  0.4854
      154     1500    8.608   2.683E+02    8.613     1473    0.0449  0.1181    0.0488  0.1311    0.0182  0.0537    0.5167  0.3086    0.6706  0.4840
      155     1566    7.864   2.368E+02    7.895     1542    0.0476  0.1203    0.0518  0.1335    0.0194  0.0547    0.5180  0.3104    0.6697  0.4824
      156     1604    7.833   2.279E+02    7.877     1573    0.0487  0.1239    0.0531  0.1381    0.0202  0.0577    0.5191  0.3124    0.6688  0.4806
      157     1534    8.070   2.441E+02    8.020     1512    0.0462  0.1244    0.0504  0.1389    0.0190  0.0582    0.5202  0.3145    0.6676  0.4790
      158     1558    7.805   2.172E+02    7.847     1526    0.0508  0.1252    0.0553  0.1391    0.0208  0.0571    0.5215  0.3163    0.6663  0.4775
      159     1521    8.765   2.804E+02    8.765     1492    0.0429  0.1202    0.0467  0.1334    0.0174  0.0544    0.5227  0.3181    0.6651  0.4758
      160     1545    7.802   2.335E+02    7.844     1524    0.0469  0.1266    0.0512  0.1410    0.0196  0.0586    0.5239  0.3200    0.6640  0.4744
      161     1586    7.930   2.512E+02    7.961     1568    0.0451  0.1252    0.0492  0.1400    0.0186  0.0589    0.5250  0.3218    0.6629  0.4729
      162     1579    7.401   2.026E+02    7.429     1543    0.0524  0.1332    0.0572  0.1489    0.0219  0.0630    0.5262  0.3239    0.6617  0.4712
      163     1581    8.105   2.401E+02    8.096     1538    0.0463  0.1178    0.0503  0.1312    0.0187  0.0545    0.5275  0.3257    0.6601  0.4695
      164     1595    8.436   2.434E+02    8.406     1572    0.0467  0.1180    0.0510  0.1320    0.0195  0.0555    0.5287  0.3276    0.6590  0.4679
      165     1542    7.781   2.293E+02    7.809     1522    0.0487  0.1252    0.0531  0.1399    0.0202  0.0587    0.5297  0.3294    0.6578  0.4662
      166     1552    8.340   2.466E+02    8.375     1520    0.0459  0.1122    0.0500  0.1248    0.0187  0.0516    0.5309  0.3312    0.6566  0.4644
      167     1521    7.968   2.335E+02    8.005     1485    0.0456  0.1203    0.0497  0.1338    0.0190  0.0555    0.5320  0.3330    0.6553  0.4628
      168     1594    7.955   2.260E+02    7.995     1558    0.0477  0.1268    0.0521  0.1413    0.0199  0.0589    0.5331  0.3348    0.6540  0.4615
      169     1583    8.292   2.449E+02    8.337     1560    0.0439  0.1200    0.0479  0.1338    0.0184  0.0559    0.5341  0.3366    0.6527  0.4596
      170     1576    7.655   2.273E+02    7.707     1541    0.0485  0.1250    0.0529  0.1393    0.0201  0.0580    0.5354  0.3385    0.6513  0.4579
      171     1573    7.782   2.319E+02    7.762     1535    0.0458  0.1256    0.0501  0.1406    0.0192  0.0597    0.5365  0.3402    0.6501  0.4563
      172     1597    7.811   2.068E+02    7.827     1557    0.0523  0.1474    0.0570  0.1645    0.0216  0.0691    0.5377  0.3421    0.6486  0.4545
      173     1457    7.747   2.358E+02    7.800     1430    0.0485  0.1304    0.0527  0.1449    0.0196  0.0598    0.5387  0.3438    0.6470  0.4530
      174     1589    8.233   2.432E+02    8.293     1559    0.0474  0.1279    0.0517  0.1423    0.0195  0.0589    0.5398  0.3456    0.6459  0.4515
      175     1596    8.040   2.248E+02    8.066     1559    0.0477  0.1183    0.0522  0.1329    0.0201  0.0571    0.5410  0.3475    0.6445  0.4496
      176     1626    8.001   2.456E+02    8.009     1590    0.0451  0.1474    0.0491  0.1643    0.0185  0.0694    0.5421  0.3495    0.6430  0.4477
      177     1574    8.006   2.278E+02    8.041     1544    0.0496  0.1288    0.0539  0.1431    0.0202  0.0590    0.5431  0.3512    0.6416  0.4460
      178     1517    7.930   2.060E+02    7.876     1481    0.0505  0.1360    0.0549  0.1515    0.0206  0.0632    0.5440  0.3529    0.6401  0.4441
      179     1489    7.551   2.005E+02    7.626     1456    0.0536  0.1276    0.0585  0.1419    0.0223  0.0587    0.5449  0.3546    0.6387  0.4425
      180     1592    7.810   2.273E+02    7.848     1547    0.0456  0.1317    0.0498  0.1466    0.0189  0.0610    0.5460  0.3563    0.6373  0.4410
      181     1590    8.022   2.145E+02    8.046     1550    0.0503  0.1241    0.0548  0.1381    0.0208  0.0574    0.5471  0.3582    0.6358  0.4391
      182     1556    7.793   2.213E+02    7.833     1521    0.0475  0.1317    0.0520  0.1470    0.0202  0.0617    0.5481  0.3600    0.6343  0.4373
      183     1577    7.802   2.073E+02    7.834     1542    0.0490  0.1233    0.0533  0.1375    0.0199  0.0574    0.5491  0.3617    0.6329  0.4358
      184     1543    7.784   2.108E+02    7.790     1502    0.0489  0.1199    0.0533  0.1337    0.0202  0.0559    0.5502  0.3633    0.6313  0.4339
      185     1543    7.764   1.927E+02    7.827     1503    0.0516  0.1226    0.0565  0.1373    0.0218  0.0583    0.5513  0.3652    0.6298  0.4322
      186     1549    7.775   2.095E+02    7.807     1507    0.0481  0.1264    0.0524  0.1411    0.0197  0.0592    0.5523  0.3670    0.6284  0.4304
      187     1609    7.368   2.018E+02    7.411     1562    0.0465  0.1298    0.0509  0.1453    0.0196  0.0617    0.5533  0.3688    0.6268  0.4285
      188     1548    8.106   2.178E+02    8.180     1510    0.0455  0.1224    0.0495  0.1359    0.0185  0.0560    0.5543  0.3707    0.6249  0.4267
      189     1581    7.994   2.066E+02    8.256     1549    0.0482  0.1145    0.0526  0.1281    0.0201  0.0542    0.5552  0.3726    0.6235  0.4250
      190     1507    7.577   1.870E+02    7.935     1456    0.0513  0.1242    0.0559  0.1379    0.0211  0.0568    0.5562  0.3743    0.6218  0.4229
      191     1628    7.443   1.927E+02    7.809     1578    0.0510  0.1330    0.0557  0.1484    0.0213  0.0622    0.5573  0.3764    0.6202  0.4213
      192     1629    7.407   1.908E+02    8.131     1582    0.0487  0.1312    0.0533  0.1468    0.0205  0.0623    0.5584  0.3783    0.6184  0.4193
      193     1547    7.523   1.941E+02    8.382     1500    0.0510  0.1316    0.0556  0.1464    0.0212  0.0609    0.5593  0.3800    0.6167  0.4175
      194     1577    7.950   2.073E+02    8.899     1530    0.0458  0.1195    0.0500  0.1332    0.0190  0.0557    0.5604  0.3817    0.6149  0.4156
      195     1589    7.711   1.971E+02    8.359     1533    0.0484  0.1239    0.0527  0.1380    0.0198  0.0573    0.5617  0.3833    0.6133  0.4138
      196     1499    7.631   2.379E+02    8.125     1451    0.0438  0.1242    0.0478  0.1388    0.0184  0.0586    0.5627  0.3849    0.6115  0.4121
      197     1533    7.805   2.274E+02    8.167     1492    0.0460  0.1251    0.0504  0.1396    0.0196  0.0586    0.5639  0.3863    0.6098  0.4102
      198     1620    7.742   2.057E+02    7.950     1570    0.0460  0.1227    0.0504  0.1372    0.0195  0.0580    0.5652  0.3877    0.6082  0.4082
      199     1573    7.737   2.100E+02    7.824     1517    0.0489  0.1247    0.0535  0.1390    0.0206  0.0580    0.5666  0.3893    0.6066  0.4062
      200     1539    7.085   1.790E+02    7.181     1481    0.0547  0.1344    0.0599  0.1498    0.0232  0.0626    0.5677  0.3909    0.6047  0.4042
      201     1625    7.870   2.189E+02    7.968     1567    0.0475  0.1230    0.0518  0.1373    0.0197  0.0578    0.5690  0.3925    0.6029  0.4023
      202     1547    7.515   1.913E+02    7.535     1497    0.0526  0.1292    0.0574  0.1440    0.0219  0.0603    0.5702  0.3939    0.6010  0.4004
      203     1539    7.287   2.048E+02    7.338     1483    0.0486  0.1256    0.0530  0.1401    0.0201  0.0585    0.5714  0.3951    0.5994  0.3984
      204     1594    7.863   2.152E+02    7.899     1542    0.0466  0.1224    0.0510  0.1370    0.0196  0.0583    0.5727  0.3967    0.5976  0.3964
      205     1554    7.625   2.036E+02    7.691     1509    0.0520  0.1290    0.0568  0.1442    0.0217  0.0610    0.5739  0.3981    0.5958  0.3942
      206     1552    7.771   2.073E+02    7.811     1487    0.0509  0.1254    0.0554  0.1393    0.0209  0.0573    0.5750  0.3997    0.5942  0.3922
      207     1505    6.881   1.896E+02    6.982     1454    0.0571  0.1460    0.0624  0.1628    0.0240  0.0682    0.5761  0.4011    0.5923  0.3902
      208     1569    8.052   2.315E+02    8.064     1522    0.0477  0.1261    0.0520  0.1407    0.0198  0.0593    0.5772  0.4025    0.5905  0.3884
      209     1650    7.661   2.184E+02    7.670     1587    0.0469  0.1242    0.0513  0.1386    0.0197  0.0582    0.5785  0.4041    0.5886  0.3863
      210     1649    7.364   1.963E+02    7.359     1583    0.0515  0.1249    0.0564  0.1395    0.0218  0.0591    0.5798  0.4057    0.5866  0.3840
      211     1541    7.059   1.854E+02    7.083     1475    0.0532  0.1369    0.0582  0.1530    0.0224  0.0648    0.5812  0.4072    0.5845  0.3817
      212     1600    7.508   2.070E+02    7.527     1532    0.0509  0.1302    0.0556  0.1454    0.0213  0.0613    0.5823  0.4088    0.5828  0.3797
      213     1498    7.847   2.193E+02    7.889     1440    0.0494  0.1183    0.0540  0.1317    0.0207  0.0549    0.5833  0.4102    0.5808  0.3777
      214     1582    7.786   1.936E+02    7.830     1518    0.0523  0.1233    0.0572  0.1377    0.0221  0.0580    0.5846  0.4116    0.5789  0.3757
      215     1538    7.203   1.902E+02    7.235     1477    0.0546  0.1263    0.0595  0.1407    0.0227  0.0587    0.5857  0.4129    0.5770  0.3734
      216     1520    7.164   1.965E+02    7.234     1460    0.0535  0.1293    0.0584  0.1444    0.0224  0.0608    0.5868  0.4142    0.5751  0.3712
      217     1545    7.627   2.196E+02    7.652     1475    0.0482  0.1232    0.0526  0.1373    0.0203  0.0576    0.5881  0.4156    0.5731  0.3690
      218     1605    7.430   1.937E+02    7.495     1544    0.0565  0.1307    0.0619  0.1454    0.0241  0.0605    0.5894  0.4170    0.5711  0.3669
      219     1540    7.880   2.173E+02    7.833     1477    0.0495  0.1273    0.0540  0.1414    0.0206  0.0585    0.5905  0.4185    0.5692  0.3646
      220     1551    7.153   2.192E+02    7.185     1475    0.0474  0.1304    0.0519  0.1455    0.0202  0.0614    0.5916  0.4199    0.5673  0.3624
      221     1524    7.856   2.263E+02    7.878     1464    0.0462  0.1180    0.0503  0.1312    0.0190  0.0543    0.5926  0.4214    0.5652  0.3601
      222     1613    7.477   1.975E+02    7.525     1548    0.0533  0.1270    0.0583  0.1414    0.0223  0.0590    0.5938  0.4231    0.5632  0.3579
      223     1555    6.971   1.848E+02    6.982     1482    0.0557  0.1357    0.0607  0.1512    0.0231  0.0634    0.5949  0.4247    0.5611  0.3556
      224     1593    7.444   1.945E+02    7.453     1541    0.0535  0.1260    0.0584  0.1406    0.0225  0.0592    0.5961  0.4263    0.5590  0.3534
      225     1610    7.487   2.195E+02    7.519     1533    0.0482  0.1286    0.0527  0.1434    0.0204  0.0604    0.5974  0.4279    0.5571  0.3512
      226     1523    7.587   2.202E+02    7.622     1458    0.0479  0.1231    0.0523  0.1367    0.0201  0.0566    0.5985  0.4292    0.5548  0.3490
      227     1561    7.535   1.978E+02    7.560     1505    0.0536  0.1277    0.0586  0.1419    0.0224  0.0587    0.5994  0.4307    0.5526  0.3469
      228     1547    7.376   2.149E+02    7.399     1478    0.0502  0.1316    0.0550  0.1470    0.0215  0.0621    0.6005  0.4322    0.5505  0.3447
      229     1515    7.377   2.026E+02    7.420     1451    0.0519  0.1322    0.0568  0.1477    0.0219  0.0624    0.6015  0.4336    0.5482  0.3424
      230     1560    7.725   2.153E+02    7.748     1483    0.0485  0.1219    0.0529  0.1362    0.0202  0.0574    0.6027  0.4350    0.5462  0.3401
      231     1532    7.126   1.905E+02    7.163     1471    0.0551  0.1345    0.0604  0.1503    0.0235  0.0636    0.6038  0.4364    0.5438  0.3378
      232     1589    7.510   2.038E+02    7.528     1518    0.0513  0.1255    0.0562  0.1398    0.0218  0.0585    0.6049  0.4379    0.5417  0.3353
      233     1603    7.220   2.036E+02    7.241     1523    0.0496  0.1243    0.0543  0.1393    0.0211  0.0595    0.6061  0.4394    0.5395  0.3330
      234     1580    7.448   1.948E+02    7.445     1512    0.0527  0.1253    0.0575  0.1397    0.0220  0.0586    0.6073  0.4408    0.5371  0.3306
      235     1527    7.134   1.844E+02    7.186     1449    0.0557  0.1328    0.0610  0.1477    0.0236  0.0616    0.6084  0.4422    0.5350  0.3283
      236     1601    7.034   1.803E+02    7.023     1528    0.0543  0.1274    0.0595  0.1425    0.0232  0.0607    0.6094  0.4438    0.5326  0.3262
      237     1508    7.474   2.065E+02    7.475     1440    0.0468  0.1249    0.0512  0.1394    0.0198  0.0586    0.6104  0.4453    0.5304  0.3236
      238     1589    7.327   1.826E+02    7.378     1514    0.0580  0.1289    0.0636  0.1441    0.0249  0.0611    0.6116  0.4467    0.5281  0.3213
      239     1594    6.989   1.924E+02    7.001     1511    0.0541  0.1328    0.0592  0.1483    0.0230  0.0628    0.6128  0.4481    0.5258  0.3188
      240     1551    7.441   1.920E+02    7.448     1490    0.0523  0.1311    0.0574  0.1465    0.0225  0.0622    0.6139  0.4496    0.5234  0.3162
      241     1597    7.415   2.114E+02    7.445     1513    0.0488  0.1235    0.0535  0.1380    0.0211  0.0584    0.6150  0.4509    0.5211  0.3138
      242     1608    7.009   1.953E+02    7.038     1538    0.0516  0.1348    0.0568  0.1513    0.0226  0.0651    0.6162  0.4524    0.5187  0.3115
      243     1501    7.518   2.179E+02    7.561     1425    0.0517  0.1251    0.0565  0.1392    0.0220  0.0582    0.6172  0.4537    0.5163  0.3086
      244     1530    6.593   1.716E+02    6.599     1451    0.0558  0.1397    0.0611  0.1556    0.0238  0.0648    0.6183  0.4550    0.5140  0.3064
      245     1526    6.947   1.823E+02    6.961     1459    0.0550  0.1410    0.0603  0.1580    0.0237  0.0677    0.6193  0.4564    0.5117  0.3040
      246     1584    7.505   2.125E+02    7.552     1515    0.0509  0.1260    0.0557  0.1402    0.0218  0.0586    0.6203  0.4578    0.5094  0.3016
      247     1551    6.976   1.851E+02    6.991     1473    0.0531  0.1324    0.0582  0.1482    0.0229  0.0634    0.6215  0.4592    0.5069  0.2990
      248     1580    7.259   1.833E+02    7.268     1508    0.0538  0.1250    0.0589  0.1394    0.0229  0.0588    0.6225  0.4606    0.5045  0.2966
      249     1519    6.936   1.863E+02    6.963     1440    0.0527  0.1347    0.0578  0.1507    0.0227  0.0641    0.6237  0.4619    0.5020  0.2940
      250     1576    7.093   1.917E+02    7.092     1514    0.0554  0.1293    0.0608  0.1449    0.0240  0.0621    0.6249  0.4633    0.4996  0.2915
      251     1559    7.034   1.784E+02    7.074     1491    0.0576  0.1342    0.0630  0.1502    0.0244  0.0639    0.6260  0.4647    0.4972  0.2886
      252     1553    6.964   1.908E+02    6.985     1472    0.0553  0.1385    0.0607  0.1551    0.0238  0.0662    0.6271  0.4662    0.4948  0.2860
      253     1564    7.283   2.058E+02    7.267     1489    0.0492  0.1311    0.0539  0.1465    0.0211  0.0618    0.6281  0.4676    0.4922  0.2835
      254     1550    6.873   1.900E+02    6.892     1473    0.0543  0.1383    0.0596  0.1545    0.0234  0.0654    0.6292  0.4690    0.4897  0.2809
      255     1553    7.194   1.878E+02    7.192     1478    0.0561  0.1290    0.0614  0.1439    0.0238  0.0605    0.6302  0.4704    0.4873  0.2781
      256     1504    6.569   1.504E+02    6.584     1436    0.0643  0.1373    0.0705  0.1529    0.0277  0.0642    0.6312  0.4718    0.4848  0.2756
      257     1533    6.555   1.638E+02    6.578     1449    0.0593  0.1384    0.0654  0.1545    0.0262  0.0655    0.6323  0.4732    0.4824  0.2731
      258     1590    7.200   1.884E+02    7.187     1511    0.0544  0.1299    0.0595  0.1453    0.0230  0.0616    0.6334  0.4746    0.4797  0.2705
      259     1551    7.380   1.907E+02    7.362     1479    0.0529  0.1293    0.0581  0.1448    0.0229  0.0619    0.6345  0.4760    0.4770  0.2678
      260     1587    6.665   1.526E+02    6.691     1501    0.0629  0.1365    0.0693  0.1531    0.0277  0.0659    0.6356  0.4774    0.4744  0.2651
      261     1565    7.335   1.928E+02    7.347     1482    0.0542  0.1279    0.0594  0.1427    0.0231  0.0601    0.6367  0.4787    0.4718  0.2623
      262     1547    6.917   1.867E+02    6.937     1454    0.0521  0.1362    0.0575  0.1530    0.0230  0.0661    0.6379  0.4800    0.4691  0.2597
      263     1629    6.979   1.887E+02    7.004     1551    0.0563  0.1341    0.0616  0.1501    0.0240  0.0640    0.6389  0.4814    0.4664  0.2569
      264     1545    7.430   1.958E+02    7.465     1449    0.0525  0.1326    0.0578  0.1491    0.0230  0.0645    0.6402  0.4827    0.4636  0.2541
      265     1571    6.839   1.670E+02    6.879     1492    0.0605  0.1298    0.0663  0.1452    0.0259  0.0617    0.6413  0.4839    0.4608  0.2512
      266     1555    7.108   1.770E+02    7.118     1480    0.0552  0.1277    0.0608  0.1429    0.0242  0.0611    0.6422  0.4853    0.4580  0.2486
      267     1532    6.758   1.699E+02    6.764     1442    0.0579  0.1423    0.0640  0.1593    0.0258  0.0680    0.6434  0.4867    0.4552  0.2457
      268     1566    7.083   1.736E+02    7.132     1489    0.0577  0.1368    0.0634  0.1528    0.0252  0.0647    0.6444  0.4880    0.4524  0.2428
      269     1548    7.079   1.774E+02    7.067     1471    0.0589  0.1371    0.0646  0.1528    0.0252  0.0642    0.6455  0.4893    0.4497  0.2400
      270     1600    6.550   1.624E+02    6.552     1516    0.0596  0.1434    0.0656  0.1604    0.0260  0.0684    0.6465  0.4907    0.4469  0.2372
      271     1527    6.782   1.684E+02    6.810     1437    0.0574  0.1305    0.0630  0.1462    0.0249  0.0628    0.6477  0.4921    0.4439  0.2340
      272     1529    6.797   1.721E+02    6.827     1457    0.0586  0.1385    0.0643  0.1549    0.0254  0.0660    0.6487  0.4933    0.4412  0.2312
      273     1567    6.640   1.602E+02    6.638     1486    0.0613  0.1408    0.0671  0.1568    0.0261  0.0658    0.6497  0.4946    0.4385  0.2283
      274     1611    7.416   2.065E+02    7.431     1521    0.0497  0.1316    0.0546  0.1475    0.0216  0.0632    0.6508  0.4960    0.4356  0.2252
      275     1556    6.604   1.602E+02    6.571     1460    0.0622  0.1423    0.0685  0.1594    0.0272  0.0682    0.6520  0.4973    0.4327  0.2221
      276     1573    6.764   1.700E+02    6.813     1478    0.0569  0.1378    0.0624  0.1537    0.0246  0.0647    0.6531  0.4987    0.4298  0.2192
      277     1553    6.581   1.631E+02    6.588     1476    0.0584  0.1406    0.0644  0.1576    0.0259  0.0680    0.6541  0.5003    0.4266  0.2161
      278     1584    7.414   1.870E+02    7.454     1495    0.0539  0.1298    0.0592  0.1451    0.0233  0.0617    0.6552  0.5016    0.4238  0.2130
      279     1564    6.862   1.707E+02    6.878     1471    0.0570  0.1352    0.0628  0.1520    0.0250  0.0659    0.6563  0.5029    0.4208  0.2098
      280     1592    6.585   1.585E+02    6.635     1510    0.0623  0.1459    0.0686  0.1634    0.0275  0.0700    0.6573  0.5043    0.4176  0.2067
      281     1539    7.079   1.684E+02    7.091     1443    0.0573  0.1311    0.0631  0.1472    0.0252  0.0637    0.6584  0.5057    0.4144  0.2035
      282     1564    6.236   1.474E+02    6.252     1472    0.0677  0.1452    0.0746  0.1625    0.0300  0.0694    0.6594  0.5070    0.4112  0.2007
      283     1545    7.361   1.955E+02    7.390     1465    0.0521  0.1300    0.0573  0.1453    0.0229  0.0618    0.6604  0.5083    0.4080  0.1976
      284     1580    6.910   1.717E+02    6.929     1484    0.0583  0.1393    0.0640  0.1560    0.0254  0.0668    0.6615  0.5096    0.4051  0.1941
      285     1597    6.201   1.397E+02    6.221     1508    0.0664  0.1418    0.0733  0.1596    0.0295  0.0696    0.6627  0.5111    0.4018  0.1910
      286     1520    6.724   1.615E+02    6.732     1431    0.0598  0.1353    0.0661  0.1523    0.0268  0.0663    0.6638  0.5125    0.3986  0.1878
      287     1560    6.959   1.721E+02    6.982     1466    0.0546  0.1332    0.0601  0.1491    0.0239  0.0636    0.6649  0.5136    0.3953  0.1845
      288     1540    6.825   1.809E+02    6.831     1445    0.0584  0.1505    0.0642  0.1684    0.0255  0.0719    0.6659  0.5150    0.3921  0.1812
      289     1588    6.147   1.570E+02    6.160     1496    0.0618  0.1511    0.0681  0.1693    0.0273  0.0725    0.6671  0.5164    0.3887  0.1780
      290     1555    7.198   1.837E+02    7.255     1458    0.0543  0.1337    0.0599  0.1496    0.0241  0.0639    0.6682  0.5176    0.3855  0.1747
      291     1599    7.070   1.880E+02    7.066     1492    0.0566  0.1421    0.0622  0.1591    0.0246  0.0679    0.6693  0.5189    0.3822  0.1714
      292     1550    6.689   1.598E+02    6.685     1458    0.0584  0.1366    0.0646  0.1535    0.0263  0.0665    0.6704  0.5204    0.3787  0.1679
      293     1618    6.545   1.649E+02    6.553     1524    0.0577  0.1398    0.0635  0.1564    0.0253  0.0666    0.6714  0.5218    0.3754  0.1645
      294     1534    7.409   1.871E+02    7.410     1436    0.0509  0.1289    0.0563  0.1452    0.0228  0.0633    0.6725  0.5231    0.3719  0.1610
      295     1581    6.557   1.649E+02    6.602     1482    0.0613  0.1461    0.0678  0.1641    0.0275  0.0706    0.6736  0.5246    0.3685  0.1577
      296     1564    6.395   1.646E+02    6.408     1469    0.0588  0.1521    0.0651  0.1714    0.0266  0.0749    0.6746  0.5260    0.3648  0.1542
      297     1582    6.596   1.588E+02    6.629     1493    0.0588  0.1363    0.0649  0.1533    0.0261  0.0666    0.6756  0.5274    0.3611  0.1508
      298     1541    6.658   1.700E+02    6.697     1451    0.0573  0.1488    0.0632  0.1666    0.0253  0.0713    0.6767  0.5287    0.3575  0.1473
      299     1599    6.708   1.586E+02    6.750     1499    0.0584  0.1820    0.0646  0.2046    0.0263  0.0897    0.6777  0.5302    0.3541  0.1439
      300     1580    6.579   1.592E+02    6.602     1489    0.0615  0.1429    0.0679  0.1610    0.0275  0.0704    0.6788  0.5315    0.3505  0.1401
      301     1572    6.562   1.670E+02    6.584     1479    0.0570  0.1418    0.0630  0.1594    0.0254  0.0691    0.6798  0.5330    0.3467  0.1365
      302     1546    6.774   1.699E+02    6.802     1450    0.0558  0.1420    0.0619  0.1602    0.0255  0.0704    0.6809  0.5343    0.3430  0.1331
      303     1595    6.243   1.446E+02    6.252     1494    0.0640  0.1782    0.0707  0.1997    0.0287  0.0863    0.6819  0.5358    0.3392  0.1298
      304     1523    6.345   1.617E+02    6.361     1436    0.0586  0.1485    0.0648  0.1667    0.0264  0.0720    0.6829  0.5371    0.3352  0.1262
      305     1579    6.536   1.687E+02    6.542     1485    0.0586  0.1470    0.0647  0.1653    0.0262  0.0717    0.6839  0.5385    0.3315  0.1227
      306     1581    6.376   1.530E+02    6.387     1485    0.0577  0.1414    0.0642  0.1602    0.0269  0.0715    0.6850  0.5399    0.3274  0.1192
      307     1604    6.419   1.568E+02    6.416     1522    0.0623  0.1439    0.0688  0.1618    0.0277  0.0701    0.6859  0.5413    0.3234  0.1157
      308     1521    6.185   1.549E+02    6.188     1423    0.0591  0.1484    0.0654  0.1670    0.0268  0.0726    0.6869  0.5428    0.3194  0.1118
      309     1545    6.497   1.521E+02    6.534     1443    0.0607  0.1359    0.0673  0.1531    0.0276  0.0670    0.6879  0.5442    0.3153  0.1086
      310     1601    6.787   1.642E+02    6.810     1497    0.0573  0.1375    0.0633  0.1541    0.0257  0.0660    0.6889  0.5455    0.3110  0.1053
      311     1506    5.982   1.415E+02    5.999     1421    0.0674  0.1555    0.0747  0.1749    0.0308  0.0761    0.6899  0.5469    0.3067  0.1018
      312     1537    6.407   1.602E+02    6.434     1436    0.0607  0.1455    0.0669  0.1629    0.0270  0.0698    0.6908  0.5482    0.3026  0.0984
      313     1535    6.603   1.506E+02    6.607     1437    0.0604  0.1374    0.0670  0.1546    0.0276  0.0673    0.6918  0.5496    0.2982  0.0951
      314     1614    6.284   1.632E+02    6.325     1500    0.0573  0.1467    0.0634  0.1645    0.0258  0.0709    0.6929  0.5511    0.2939  0.0918
      315     1619    6.672   1.467E+02    6.686     1498    0.0627  0.1323    0.0695  0.1494    0.0286  0.0660    0.6940  0.5525    0.2893  0.0882
      316     1542    5.648   1.263E+02    5.663     1420    0.0706  0.1599    0.0784  0.1803    0.0324  0.0791    0.6952  0.5538    0.2845  0.0847
      317     1536    6.390   1.533E+02    6.405     1424    0.0641  0.1513    0.0709  0.1707    0.0287  0.0751    0.6962  0.5552    0.2796  0.0818
      318     1579    6.117   1.467E+02    6.114     1475    0.0620  0.1438    0.0686  0.1624    0.0279  0.0716    0.6972  0.5567    0.2750  0.0783
      319     1535    5.949   1.397E+02    5.980     1410    0.0610  0.1460    0.0681  0.1656    0.0288  0.0741    0.6982  0.5581    0.2702  0.0749
      320     1585    6.369   1.468E+02    6.355     1465    0.0629  0.1410    0.0696  0.1587    0.0283  0.0691    0.6992  0.5594    0.2652  0.0719
      321     1570    6.438   1.610E+02    6.452     1437    0.0561  0.1469    0.0621  0.1653    0.0252  0.0719    0.7004  0.5607    0.2599  0.0688
      322     1527    6.240   1.509E+02    6.256     1413    0.0630  0.1459    0.0699  0.1642    0.0288  0.0716    0.7013  0.5619    0.2548  0.0656
      323     1557    6.434   1.534E+02    6.447     1445    0.0603  0.1455    0.0669  0.1640    0.0277  0.0718    0.7023  0.5632    0.2498  0.0626
      324     1590    6.841   1.691E+02    6.851     1459    0.0556  0.1393    0.0616  0.1569    0.0252  0.0684    0.7033  0.5645    0.2447  0.0594
      325     1534    6.597   1.603E+02    6.599     1412    0.0581  0.1389    0.0645  0.1566    0.0266  0.0688    0.7043  0.5658    0.2393  0.0563
      326     1560    5.997   1.493E+02    6.016     1440    0.0614  0.1541    0.0682  0.1738    0.0283  0.0764    0.7053  0.5672    0.2338  0.0535
      327     1543    6.768   1.627E+02    6.774     1424    0.0598  0.1389    0.0660  0.1558    0.0268  0.0674    0.7061  0.5685    0.2283  0.0505
      328     1544    5.765   1.393E+02    5.759     1404    0.0652  0.1666    0.0723  0.1873    0.0297  0.0815    0.7071  0.5699    0.2226  0.0477
      329     1515    6.425   1.437E+02    6.448     1398    0.0645  0.1374    0.0717  0.1551    0.0297  0.0683    0.7081  0.5712    0.2168  0.0451
      330     1600    6.038   1.388E+02    6.054     1431    0.0636  0.1428    0.0708  0.1615    0.0296  0.0714    0.7093  0.5726    0.2111  0.0424
      331     1597    6.321   1.520E+02    6.350     1454    0.0614  0.1498    0.0682  0.1693    0.0282  0.0754    0.7103  0.5740    0.2048  0.0398
      332     1601    6.230   1.465E+02    6.260     1456    0.0603  0.1385    0.0673  0.1569    0.0285  0.0703    0.7113  0.5754    0.1982  0.0375
      333     1523    6.057   1.259E+02    6.053     1400    0.0720  0.1470    0.0802  0.1665    0.0335  0.0741    0.7122  0.5767    0.1915  0.0351
      334     1544    6.274   1.377E+02    6.287     1386    0.0657  0.1469    0.0729  0.1655    0.0300  0.0728    0.7134  0.5779    0.1855  0.0325
      335     1586    6.258   1.542E+02    6.275     1459    0.0568  0.1397    0.0634  0.1583    0.0268  0.0708    0.7143  0.5792    0.1791  0.0301
      336     1579    6.038   1.517E+02    6.047     1440    0.0600  0.1474    0.0668  0.1665    0.0280  0.0736    0.7153  0.5805    0.1722  0.0279
      337     1526    5.990   1.331E+02    6.019     1407    0.0698  0.1524    0.0778  0.1727    0.0327  0.0774    0.7162  0.5819    0.1656  0.0253
      338     1590    6.360   1.527E+02    6.344     1447    0.0588  0.1421    0.0654  0.1605    0.0275  0.0715    0.7172  0.5831    0.1590  0.0231
      339     1543    6.482   1.543E+02    6.506     1417    0.0618  0.1414    0.0689  0.1600    0.0290  0.0714    0.7180  0.5844    0.1518  0.0209
      340     1566    6.323   1.471E+02    6.345     1417    0.0603  0.1399    0.0671  0.1581    0.0281  0.0700    0.7191  0.5857    0.1450  0.0188
      341     1541    6.155   1.429E+02    6.155     1423    0.0650  0.1495    0.0727  0.1697    0.0311  0.0767    0.7199  0.5870    0.1378  0.0168
      342     1545    6.037   1.394E+02    6.046     1410    0.0616  0.1410    0.0686  0.1593    0.0286  0.0707    0.7208  0.5882    0.1306  0.0150
      343     1522    6.144   1.451E+02    6.150     1395    0.0647  0.1412    0.0724  0.1608    0.0310  0.0729    0.7217  0.5894    0.1232  0.0131
      344     1620    5.788   1.249E+02    5.800     1485    0.0723  0.1559    0.0809  0.1773    0.0345  0.0802    0.7226  0.5909    0.1157  0.0114
      345     1561    6.175   1.524E+02    6.136     1433    0.0578  0.1488    0.0646  0.1694    0.0273  0.0771    0.7235  0.5923    0.1076  0.0097
      346     1589    6.417   1.563E+02    6.442     1438    0.0594  0.1419    0.0667  0.1617    0.0287  0.0738    0.7245  0.5935    0.0999  0.0079
      347     1584    5.963   1.253E+02    5.980     1423    0.0698  0.1416    0.0779  0.1603    0.0331  0.0715    0.7256  0.5948    0.0916  0.0065
      348     1542    5.922   1.432E+02    5.921     1414    0.0606  0.1477    0.0680  0.1685    0.0293  0.0771    0.7264  0.5962    0.0834  0.0051
      349     1559    6.510   1.585E+02    6.552     1410    0.0579  0.1444    0.0648  0.1643    0.0279  0.0748    0.7274  0.5975    0.0751  0.0040
      350     1524    5.921   1.414E+02    5.922     1385    0.0650  0.1540    0.0727  0.1751    0.0311  0.0795    0.7284  0.5988    0.0663  0.0032
      351     1604    6.574   1.521E+02    6.588     1450    0.0591  0.1386    0.0661  0.1574    0.0281  0.0710    0.7294  0.6000    0.0577  0.0023
      352     1546    6.213   1.551E+02    6.227     1419    0.0580  0.1502    0.0650  0.1706    0.0281  0.0771    0.7302  0.6012    0.0483  0.0017
      353     1549    5.645   1.290E+02    5.645     1392    0.0703  0.1585    0.0789  0.1801    0.0342  0.0816    0.7312  0.6024    0.0392  0.0011
      354     1536    5.732   1.472E+02    5.764     1395    0.0613  0.1572    0.0688  0.1786    0.0298  0.0809    0.7321  0.6037    0.0300  0.0005
      355     1531    5.818   1.379E+02    5.812     1398    0.0642  0.1615    0.0723  0.1840    0.0317  0.0839    0.7330  0.6051    0.0207  0.0002
      356     1436    5.503   1.219E+02    5.508     1309    0.0765  0.1676    0.0854  0.1893    0.0362  0.0840    0.7338  0.6061    0.0112  0.0000
      357      330    5.958   1.566E+02    5.958      285    0.0703  0.1612    0.0782  0.1818    0.0331  0.0813    0.7341  0.6063    0.0021  0.0000
 ---------------------------------------------------------------------------------------------------------------------------------------------------
   Total    554211                                 534818                                                          0.7341  0.6063

  Calling close_file ... 

 MRFANA: normal termination

      

REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
REMARK 200  DATE OF DATA COLLECTION        : 07-Feb-2013
REMARK 200  TEMPERATURE           (KELVIN) : NULL
REMARK 200  PH                             : NULL
REMARK 200  NUMBER OF CRYSTALS USED        : NULL
REMARK 200
REMARK 200  SYNCHROTRON              (Y/N) : Y
REMARK 200  RADIATION SOURCE               : SYNCHROTRON
REMARK 200  BEAMLINE                       : NULL
REMARK 200  X-RAY GENERATOR MODEL          : NULL
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.979500
REMARK 200  MONOCHROMATOR                  : NULL
REMARK 200  OPTICS                         : NULL
REMARK 200
REMARK 200  DETECTOR TYPE                  : PILATUS 6M
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : autoPROC, XDS (VERSION Mar 15, 2019)
REMARK 200  DATA SCALING SOFTWARE          : autoPROC (Version 1.1.7), AIMLESS (version 0.7.4), CCP4 7.0.077
REMARK 200  
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 67668
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.967
REMARK 200  RESOLUTION RANGE LOW       (A) : 69.784
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200  COMPLETENESS FOR RANGE     (%) : 89.2
REMARK 200  DATA REDUNDANCY                : 6.2
REMARK 200  R MERGE                    (I) : 0.042
REMARK 200  R SYM                      (I) : 0.042
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 22.6
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.967
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.001
REMARK 200  COMPLETENESS FOR SHELL     (%) : 90.7
REMARK 200  DATA REDUNDANCY IN SHELL       : 6.0
REMARK 200  R MERGE FOR SHELL          (I) : 0.462
REMARK 200  R SYM FOR SHELL            (I) : 0.462
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.4
REMARK 200
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: 
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL:  NULL
REMARK 200
REMARK 200 REMARK:   NULL
      

REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
REMARK 200  DATE OF DATA COLLECTION        : 07-Feb-2013
REMARK 200  TEMPERATURE           (KELVIN) : NULL
REMARK 200  PH                             : NULL
REMARK 200  NUMBER OF CRYSTALS USED        : NULL
REMARK 200
REMARK 200  SYNCHROTRON              (Y/N) : Y
REMARK 200  RADIATION SOURCE               : SYNCHROTRON
REMARK 200  BEAMLINE                       : NULL
REMARK 200  X-RAY GENERATOR MODEL          : NULL
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.979500
REMARK 200  MONOCHROMATOR                  : NULL
REMARK 200  OPTICS                         : NULL
REMARK 200
REMARK 200  DETECTOR TYPE                  : PILATUS 6M
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : autoPROC, XDS (VERSION Mar 15, 2019)
REMARK 200  DATA SCALING SOFTWARE          : autoPROC (Version 1.1.7), AIMLESS, STARANISO
REMARK 200  
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 61945
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.755
REMARK 200  RESOLUTION RANGE LOW       (A) : 69.784
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200  COMPLETENESS FOR RANGE     (%) : 58.3
REMARK 200  DITTO, ANISOTROPIC         (%) : 88.5
REMARK 200  DATA REDUNDANCY                : 6.6
REMARK 200  R MERGE                    (I) : 0.041
REMARK 200  R SYM                      (I) : 0.041
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 24.8
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.755
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.898
REMARK 200  COMPLETENESS FOR SHELL     (%) : 14.1
REMARK 200  DITTO, ANISOTROPIC         (%) : 55.3
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.9
REMARK 200  R MERGE FOR SHELL          (I) : 0.594
REMARK 200  R SYM FOR SHELL            (I) : 0.594
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.9
REMARK 200
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: 
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL:  NULL
REMARK 200
REMARK 200 REMARK:   NULL
      

 STARANISO: determines the anisotropy of the I/<J> distribution. 
 
   (Author: I. J. Tickle)

 Copyright (C) 2016-2018 Global Phasing Ltd.

 This software is proprietary to and embodies the confidential
 technology of Global Phasing Limited (GPhL). Possession, use,
 duplication or dissemination of the software is authorised
 only pursuant to a valid written licence from GPhL.

               All rights reserved.


 Version     : staraniso 1.1.6beta for linux64-ifort made on Sep 23 2019 at 02:59:18

 Licenced to : Global Phasing Ltd (server8)

 Today is                    Tue Oct 29 08:49:35 2019



 >>> Software will expire soon : Fri Nov 22 03:23:42 2019 <<<



STARANISO OpenMP version: 2.3.13 (7-Sep-2019)

Ian J. Tickle, Global Phasing Ltd., Cambridge, UK.


Command line: 

/home/software/xtal/GPhL/20190923/autoPROC/bin/linux64/staraniso hklin aimless_alldata.mtz mskout staraniso_alldata.msk ismean staraniso_alldata.ismean.hkl resout staraniso_alldata.resout hklout staraniso_alldata.mtz

Run on: Tue Oct 29 08:49:35 2019


System info:

Linux server8 3.10.0-957.27.2.el7.x86_64 #1 SMP Mon Jul 29 17:46:05 UTC 2019 x86_64 x86_64 x86_64 GNU/Linux
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<html> <!-- CCP4 HTML LOGFILE -->
<hr>
<!--SUMMARY_END--></FONT></B>


Environment variable settings:

  1  PROFIN
  2  HKLIN   aimless_alldata.mtz
  3  MSKIN
  4  HKLOUT  staraniso_alldata.mtz
  5  MSKOUT  staraniso_alldata.msk
  6  RESOUT  staraniso_alldata.resout
  7  RLAXES
  8  XPCORR
  9  LPCHIS
 10  REDUND
 11  ISMEAN  staraniso_alldata.ismean.hkl
 12  CCHALF
 13  KLDIVE
 14  IJMEAN
 15  DWFACT
 16  MFTNCS
 17  PPZOUT
 18  PPDOUT
 19  ELLIPS
 20  PPFOUT
 21  BINOUT
 22  XPPLOT
 23  PCHISQ


FORMATTED      UNKNOWN file opened on unit   2
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: RESOUT, Filename: staraniso_alldata.resout
<!--SUMMARY_END--></FONT></B>



Reading NAMELIST options:

Input line: TITL="autoPROC.01/staraniso_alldata"

Input line: HEMI=f


Default values of input variables:

        ACOR =     T
        ACUT =     T
        ANIS =     T
        ANOM =     T
        APPE =     F
        APRI =     T
        ASYM =     T
        BATC = ''
        BINP =     0.00    0.00    0.00    0.00    0.00    0.00
        BOUT =     0.00    0.00    0.00    0.00    0.00    0.00
        CENT = ''
        COMP =     T
        CONS =     T
        CTCG =  1.0E-05 1.0E-05
        CTQN =  0.9     1.0E-05
        CTTR =  1.0E-04
        DCHK =     F
        DEBU =        0
        DINP =     0.00    0.00    0.00    0.00    0.00    0.00
        DISP =     F
        ELLI =   0.0000  0.0000  0.0000  0.0000  0.0000  0.0000
        EXPE =     F
        FIND =     F
        FIXE =     F
        FRAC =    0.000
        FULL =     F
        FUNC = 'FW'
        GOFT =     F
        GRID =       50
        HEMI =     T
        KEEP =     F
        LABF = 'F'      'F(+)'      'F(-)'      'DANO'  'ISYM'
        LABI = 'IMEAN'  'I(+)'      'I(-)'      'DANO'  'ISYM'  'N(+)'  'N(-)'  'IHALF1'  'IHALF2'
        LABO = 'Icorr'  'Icorr(+)'  'Icorr(-)'
        LABP = 'Ipost'  'Ipost(+)'  'Ipost(-)'
        MEDI =     F
        NBIN =       50      20
        NRAD =     1000       0    1000    1000
        NREF =      500
        OCUT =     T
        OPTI = 'TR'
        OVER =     T
        POSI =     F
        POST =     F
        PREC =        2
        PROF =     T
        REIN =     T
        RENO =     F
        RESH =    0.000
        RRAD =    0.150   0.150   0.150   0.150
        SCAL =    1.000
        SECT =     T
        SIGI =     0.00
        STAT =     T
        TCCH =    0.600
        TCCO =    0.700
        TELL =    1.000
        TISA =     0.00
        TISI =    -5.00   -5.00
        TISM =     1.20
        TISO =     1.50
        TITL = ''
        TNCS =      0.0000  0.0000  0.0000
                    0.0000  0.0000  0.0000
                    0.0000  0.0000  0.0000
                    0.0000  0.0000  0.0000
                    0.0000  0.0000  0.0000
        TRUN = 'T'
        TWIN =     F
        UNOB =     F
        USEC =     F
        ZERO =     F
        ZOUT =     F

Variables with non-default values:

        HEMI =     F
        TITL = 'autoPROC.01/staraniso_alldata'

########################################################################################################################################################################################################


autoPROC.01/staraniso_alldata
=============================


S profile:   700  0.094900  1.694800


 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN   Filename: aimless_alldata.mtz 

 * Title:

 From XDS file XDS_ASCII.HKL, XDS run on 29-Oct-2019 from images Images

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 Test
          A
          1
            161.2010  161.2010  139.4630   90.0000   90.0000  120.0000
             0.97950

 * Number of Columns = 11

 * Number of Reflections = 114921

 * Missing value set to NaN in input mtz file

 * Column Labels :

 H K L IMEAN SIGIMEAN I(+) SIGI(+) I(-) SIGI(-) N(+) N(-)

 * Column Types :

 H H H J Q K M K M I I

 * Associated datasets :

 0 0 0 1 1 1 1 1 1 1 1

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

  161.2010  161.2010  139.4630   90.0000   90.0000  120.0000 

 *  Resolution Range :

    0.00010    0.42177     (     98.665 -      1.540 A )

 * Sort Order :

      0     0     0     0     0

 * Space group = 'P 63 2 2' (number     182)

  (spacegroup is known)

########################################################################################################################################################################################################


Using MTZ column labels:      IMEAN  SIGIMEAN  I(+)  SIGI(+)  I(-)  SIGI(-)  N(+)  N(-)

NOTE: No re-indexing needed.

Input diffraction range for indices:                   98.665   1.540

Input diffraction range for intensities/amplitudes:    98.665   1.540

########################################################################################################################################################################################################


Read & store reflection data.
=============================

WARNING: systematic absences found:

    1        2      0    0    3        0.35        0.58        0.35        0.58        0.35        0.58
    2        4      0    0    5       -0.00        1.19       -0.00        1.19       -0.00        1.19
    3        6      0    0    7        0.18        1.71        0.18        1.71        0.18        1.71
    4        8      0    0    9     3089.54       73.02     3089.54       73.02     3089.54       73.02
    5       10      0    0   11        3.22        2.64        3.22        2.64        3.22        2.64
    6       13      0    0   15       -1.04        3.76       -1.04        3.76       -1.04        3.76
    7       15      0    0   17       -1.32        4.15       -1.32        4.15       -1.32        4.15
    8       17      0    0   19        2.57        4.44        2.57        4.44        2.57        4.44
    9       19      0    0   21       -6.57        4.67       -6.57        4.67       -6.57        4.67
   10       21      0    0   23        5.23        5.49        5.23        5.49        5.23        5.49
   11       23      0    0   25        1.86        5.65        1.86        5.65        1.86        5.65
   12       24      0    0   27        4.55        6.06        4.55        6.06        4.55        6.06
   13       26      0    0   29       -0.75        7.14       -0.75        7.14       -0.75        7.14
   14       28      0    0   31        2.69        7.69        2.69        7.69        2.69        7.69
   15       30      0    0   33        8.68        8.53        8.68        8.53        8.68        8.53
   16       32      0    0   35       -7.83        9.31       -7.83        9.31       -7.83        9.31
   17       34      0    0   37        3.22       10.21        3.22       10.21        3.22       10.21
   18       35      0    0   39       -4.12       11.39       -4.12       11.39       -4.12       11.39
   19       37      0    0   41        0.20       11.25        0.20       11.25        0.20       11.25
   20       39      0    0   43        2.53       11.71        2.53       11.71        2.53       11.71
   21       41      0    0   45      -12.43       11.39      -12.43       11.39      -12.43       11.39
   22       43      0    0   47       -2.50       11.21       -2.50       11.21       -2.50       11.21
   23       45      0    0   49        8.04       11.43        8.04       11.43        8.04       11.43
   24       46      0    0   51      -14.74       11.07      -14.74       11.07      -14.74       11.07
   25       47      0    0   53       -2.61       11.56       -2.61       11.56       -2.61       11.56
   26       49      0    0   55       -5.85       11.18       -5.85       11.18       -5.85       11.18
   27       51      0    0   57       -2.50       10.75       -2.50       10.75       -2.50       10.75
   28       53      0    0   59       -1.30       11.59       -1.30       11.59       -1.30       11.59
   29       55      0    0   63       -6.92       12.10       -6.92       12.10       -6.92       12.10
   30       57      0    0   65       -6.23       12.30       -6.23       12.30       -6.23       12.30
   31       59      0    0   67       -3.32       12.99       -3.32       12.99       -3.32       12.99
   32       61      0    0   69        1.39       12.95        1.39       12.95        1.39       12.95

Data are already sorted.

MTZ data are assumed to be partially or fully merged.

No. of reflections in each asymmetric unit:

   1   114889   h, k, l

Diffraction cut-off criterion: Local mean I/sd(I) = 1.20


$TABLE: Mean I/sd(I) statistics before cut-off:
$GRAPHS: Mean I/sd(I):0|0.4218x0|    75:2,7,8: $$

 Bin  d*mean^2  d_min  Nref(all)  Nref(obs)  Completeness  mean_I/sd(I)  mean_I/sd(I)_smoothed $$
$$
    1   0.0196   5.672     3481     3100    0.891     74.93     71.84
    2   0.0407   4.502     3264     3006    0.921     66.71     68.22
    3   0.0572   3.933     3226     3001    0.930     65.52     62.24
    4   0.0716   3.573     3229     3030    0.938     53.63     54.48
    5   0.0847   3.317     3180     2995    0.942     46.24     45.69
    6   0.0968   3.122     3181     3011    0.947     36.12     37.13
    7   0.1082   2.965     3174     2987    0.941     28.84     29.60
    8   0.1191   2.836     3153     2997    0.951     23.23     23.60
    9   0.1294   2.727     3150     2969    0.943     16.76     18.99
   10   0.1394   2.633     3133     1387    0.443     14.50     15.43
   11   0.1490   2.551     3173     3002    0.946     13.82     13.16
   12   0.1583   2.478     3111     2947    0.947     11.25     11.71
   13   0.1674   2.413     3156     2974    0.942     10.63     10.37
   14   0.1762   2.354     3148     2982    0.947      8.87      9.02
   15   0.1848   2.300     3109     2948    0.948      7.75      7.71
   16   0.1932   2.251     3122     2745    0.879      6.06      6.54
   17   0.2014   2.206     3133     2395    0.764      5.57      5.67
   18   0.2095   2.165     3112     2923    0.939      5.17      5.08
   19   0.2174   2.126     3125     2942    0.941      4.63      4.57
   20   0.2251   2.090     3104     2908    0.937      3.93      4.00
   21   0.2328   2.056     3125     1894    0.606      3.00      3.45
   22   0.2403   2.024     3111     2911    0.936      3.28      3.09
   23   0.2477   1.995     3096     2858    0.923      2.84      2.77
   24   0.2550   1.967     3116     2817    0.904      2.35      2.30
   25   0.2621   1.940     3107     2709    0.872      1.66      1.78
   26   0.2692   1.915     3116     2648    0.850      1.24      1.35
   27   0.2762   1.891     3116     2579    0.828      1.03      1.07
   28   0.2831   1.868     3094     2539    0.821      0.91      0.88
   29   0.2900   1.846     3102     2515    0.811      0.69      0.71
   30   0.2967   1.826     3115     2485    0.798      0.53      0.56
   31   0.3034   1.806     3090     2439    0.789      0.45      0.44
   32   0.3100   1.787     3109     2408    0.775      0.33      0.36
   33   0.3165   1.769     3098     2353    0.760      0.28      0.31
   34   0.3229   1.751     3083     2291    0.743      0.30      0.27
   35   0.3293   1.734     3092     2257    0.730      0.21      0.23
   36   0.3357   1.718     3092     2210    0.715      0.20      0.19
   37   0.3419   1.702     3110     2192    0.705      0.15      0.15
   38   0.3482   1.687     3087     2109    0.683      0.11      0.11
   39   0.3543   1.673     3108     2045    0.658      0.06      0.07
   40   0.3604   1.659     3079     1863    0.605      0.03      0.04
   41   0.3665   1.645     3077     1720    0.559      0.02      0.02
   42   0.3725   1.632     3122     1518    0.486      0.03      0.01
   43   0.3785   1.619     3076     1397    0.454     -0.03     -0.02
   44   0.3844   1.607     3098     1240    0.400     -0.08     -0.05
   45   0.3902   1.595     3090     1083    0.350     -0.03     -0.06
   46   0.3961   1.583     3097      888    0.287     -0.10     -0.08
   47   0.4019   1.572     3075      702    0.228     -0.10     -0.12
   48   0.4076   1.561     3080      504    0.164     -0.22     -0.15
   49   0.4133   1.550     3090      336    0.109     -0.16     -0.17
   50   0.4190   1.540     3089      130    0.042     -0.09     -0.14
$$
Overall:                 156404   114889    0.735     13.41

########################################################################################################################################################################################################


Determination of anisotropic diffraction cut-off from local mean I/sd(I) threshold (TISM).
==========================================================================================

NOTE: No. of rejected reflections with I > 5*sd(I) =     50


$TABLE: Mean I/sd(I) statistics after cut-off:
$GRAPHS: Mean I/sd(I):0|0.4218x0|    75:2,7,8: $$

 Bin  d*mean^2  d_min  Nref(all)  Nref(obs)  Completeness  mean_I/sd(I)  mean_I/sd(I)_smoothed $$
$$
    1   0.0196   5.672     3481     3100    0.891     74.93     71.84
    2   0.0407   4.502     3264     3006    0.921     66.71     68.22
    3   0.0572   3.933     3226     3001    0.930     65.52     62.24
    4   0.0716   3.573     3229     3030    0.938     53.63     54.48
    5   0.0847   3.317     3180     2995    0.942     46.24     45.69
    6   0.0968   3.122     3181     3011    0.947     36.12     37.13
    7   0.1082   2.965     3174     2987    0.941     28.84     29.60
    8   0.1191   2.836     3153     2997    0.951     23.23     23.60
    9   0.1294   2.727     3150     2969    0.943     16.76     19.00
   10   0.1394   2.633     3133     1387    0.443     14.50     15.46
   11   0.1490   2.551     3173     2994    0.944     13.85     13.27
   12   0.1583   2.478     3111     2892    0.930     11.45     11.94
   13   0.1674   2.413     3156     2865    0.908     11.01     10.79
   14   0.1762   2.354     3148     2792    0.887      9.42      9.72
   15   0.1848   2.300     3109     2583    0.831      8.73      8.80
   16   0.1932   2.251     3122     2127    0.681      7.55      8.10
   17   0.2014   2.206     3133     1640    0.523      7.78      7.70
   18   0.2095   2.165     3112     1913    0.615      7.54      7.48
   19   0.2174   2.126     3125     1771    0.567      7.26      7.16
   20   0.2251   2.090     3104     1588    0.512      6.67      6.68
   21   0.2328   2.056     3125      994    0.318      5.27      6.27
   22   0.2403   2.024     3111     1314    0.422      6.63      6.16
   23   0.2477   1.995     3096     1199    0.387      6.15      5.92
   24   0.2550   1.967     3116     1125    0.361      5.33      5.17
   25   0.2621   1.940     3107     1041    0.335      3.83      4.14
   26   0.2692   1.915     3116      952    0.306      2.93      3.29
   27   0.2762   1.891     3116      818    0.263      2.71      2.79
   28   0.2831   1.868     3094      713    0.230      2.50      2.47
   29   0.2900   1.846     3102      621    0.200      2.10      2.17
   30   0.2967   1.826     3115      541    0.174      1.76      1.88
   31   0.3034   1.806     3090      409    0.132      1.60      1.66
   32   0.3100   1.787     3109      277    0.089      1.42      1.50
   33   0.3165   1.769     3098      204    0.066      1.30      1.41
   34   0.3229   1.751     3083      105    0.034      1.53      1.42
   35   0.3293   1.734     3092       27    0.009      1.80      1.50
   36   0.3344   1.725     1827       10    0.005      1.08      1.50
$$
Overall:                 111861    61998    0.554     24.65

########################################################################################################################################################################################################


Determination of best-fit ellipsoid to the anisotropic cut-off surface.
=======================================================================

Ellipsoid definition:  0.4292  0.6155

Diffraction limits & principal axes of ellipsoid fitted to diffraction cut-off surface:

                              2.330         1.0000   0.0000   0.0000       0.894 _a_* - 0.447 _b_*
                              2.330         0.0000   1.0000   0.0000       _b_*
                              1.625         0.0000   0.0000   1.0000       _c_*

Lowest cut-off diffraction limit:
            2.578 at reflection   52    4    2  in direction   0.996 _a_* + 0.077 _b_* + 0.038 _c_*

Worst diffraction limit after cut-off:
            9.349 at reflection   11    6    0  in direction   0.878 _a_* + 0.479 _b_*

Best diffraction limit after cut-off:
            1.725 at reflection   28   11   73  in direction   0.355 _a_* + 0.139 _b_* + 0.925 _c_*

NOTE that because the cut-off surface is likely to be only very approximately ellipsoidal, in part
due to variations in reflection redundancy arising from the chosen collection strategy, the
directions of the worst and best diffraction limits may not correspond with the reciprocal axes,
even in high-symmetry space groups (the only constraint being that the surface must have point
symmetry at least that of the Laue class).

Fraction of data inside cut-off surface:        54.0%  (    61998 /   114889)

Fraction of cut-off surface above threshold:    49.9%  (    1182 /    2367)

WARNING: Diffraction of the input data has probably been truncated due to an inappropriate
(an)isotropic diffraction cut-off applied in previous processing, or the diffraction pattern may
have extended beyond the edges of the detector.  In the latter case consider the possibilities of
either moving the detector closer or swinging it out, having carefully checked in the former case
that this will not create a risk of spot overlap.

Fraction of total surface above threshold truncated by cusp(s):               36.1%  (    1481 /    4100)

########################################################################################################################################################################################################


Statistics for isotropic, anisotropic & ellipsoidal diffraction cut-offs in spherical shells, excluding systematic absences.
============================================================================================================================

Statistics for isotropic diffraction cut-off in spherical shells (defined by variable steps in the reciprocal-space radius d*,
such that Nobs_sph is the same for all bins):

Nposs_sph           = Number of all possible reflections;
Nmeas_sph           = Number of all measured reflections;
Cmeas_sph           = Completeness of measured reflections = Nmeas_sph / Nposs_sph;
<I/sd>meas_sph      = Mean I/sd(I) of measured reflections;
log(<I/sd>meas)_sph = log(Mean I/sd(I)) of measured reflections;

Statistics for the anisotropic diffraction cut-off (in the intersection of each spherical shell with the anisotropic cut-off
surface, within which all measured reflections are considered 'observed', i.e. written to 'HKLOUT'):

Nobs_sph            = Number of 'observed' reflections;
Cobs_sph            = Completeness of 'observed' reflections = Nobs_sph / Nposs_sph;
<I/sd>obs_sph       = Mean I/sd(I) of 'observed' reflections;
log(<I/sd>obs)_sph  = log(Mean I/sd(I)) of 'observed' reflections;

Statistics for ellipsoidal diffraction cut-off (in the intersection of each spherical shell with the fitted ellipsoid):

Nposs_ell           = Number of possible reflections;
Nmeas_ell           = Number of measured reflections;
Cmeas_ell           = Completeness of measured reflections = Nmeas_ell / Nposs_ell;
Nobs_ell            = Number of 'observed' reflections;
Cobs_ell            = Completeness of 'observed' reflections = Nobs_ell / Nposs_ell;

NOTE that the ellipsoid is an approximation since the shape of the mean I/sd(I) anisotropic cut-off surface may be influenced by
truncation at the detector edges and by local variations in the reflection redundancy (multiplicity of measurements).


$TABLE: Statistics for isotropic, anisotropic & ellipsoidal diffraction cut-offs:
$GRAPHS: Bin counts:0|0.3362x  1627|  9890:2,4,5,9,13,14,16:
: Completeness:0|0.3362x0|1:2,6,10,15,17:
: Mean I/sd(I):0|0.3362x0|  74.93:2,7,11:
: log(Mean I/sd(I)):0|0.3362x-0.301| 1.875:2,8,12: $$

 Bin  d*mean^2  d_min  Nposs_sph  Nmeas_sph  Cmeas_sph  <I/sd>meas_sph  log(<I/sd>meas)_sph  Nobs_sph  Cobs_sph  <I/sd>obs_sph  log(<I/sd>obs)_sph  Nposs_ell  Nmeas_ell  Cmeas_ell  Nobs_ell  Cobs_ell  $$
$$
   1   0.0156   5.672     3480      3100       0.891        74.93            1.875           3100       0.891        74.93            1.875           3480      3100       0.891      3100       0.891
   2   0.0405   4.479     3369      3100       0.920        66.77            1.825           3100       0.920        66.77            1.825           3369      3100       0.920      3100       0.920
   3   0.0577   3.907     3330      3100       0.931        64.92            1.812           3100       0.931        64.92            1.812           3330      3100       0.931      3100       0.931
   4   0.0725   3.547     3303      3101       0.939        52.96            1.724           3101       0.939        52.96            1.724           3303      3101       0.939      3101       0.939
   5   0.0859   3.291     3277      3098       0.945        45.48            1.658           3098       0.945        45.48            1.658           3277      3098       0.945      3098       0.945
   6   0.0984   3.095     3287      3100       0.943        34.76            1.541           3100       0.943        34.76            1.541           3287      3100       0.943      3100       0.943
   7   0.1100   2.940     3269      3100       0.948        28.03            1.448           3100       0.948        28.03            1.448           3269      3100       0.948      3100       0.948
   8   0.1212   2.810     3292      3100       0.942        21.24            1.327           3100       0.942        21.24            1.327           3292      3100       0.942      3100       0.942
   9   0.1319   2.701     3281      3100       0.945        16.48            1.217           3100       0.945        16.48            1.217           3281      3100       0.945      3100       0.945
  10   0.1447   2.563     4945      3105       0.628        13.76            1.139           3100       0.627        13.78            1.139           4945      3105       0.628      3100       0.627
  11   0.1571   2.485     3332      3148       0.945        11.64            1.066           3100       0.930        11.81            1.072           3332      3148       0.945      3100       0.930
  12   0.1668   2.413     3409      3220       0.945        10.59            1.025           3102       0.910        10.97            1.040           3409      3220       0.945      3102       0.910
  13   0.1766   2.348     3503      3316       0.947         8.77            0.943           3099       0.885         9.33            0.970           3503      3316       0.947      3099       0.885
  14   0.1866   2.283     3845      3636       0.946         7.40            0.869           3099       0.806         8.53            0.931           3294      3224       0.979      3013       0.915
  15   0.1989   2.203     5403      4342       0.804         5.68            0.754           3100       0.574         7.64            0.883           3364      2864       0.851      2850       0.847
  16   0.2126   2.136     5186      4872       0.939         4.97            0.697           3099       0.598         7.44            0.872           2563      2547       0.994      2547       0.994
  17   0.2280   2.055     7210      5725       0.794         3.65            0.563           3100       0.430         6.25            0.796           2822      2428       0.860      2428       0.860
  18   0.2461   1.979     7830      7239       0.925         2.95            0.469           3100       0.396         6.27            0.797           2389      2368       0.991      2368       0.991
  19   0.2667   1.897     9934      8542       0.860         1.46            0.165           3100       0.312         3.51            0.545           2268      2128       0.938      2128       0.938
  20   0.3071   1.725    27376     21224       0.775         0.46           -0.333           3100       0.113         1.94            0.288           3376      1627       0.482      1627       0.482
$$
All data                111861     96268       0.861        16.00            1.204          61998       0.554        26.69            1.426          65153     57874       0.888     57261       0.879

########################################################################################################################################################################################################


Write reflection mask.
======================

 Logical Name: MSKOUT   Filename: staraniso_alldata.msk 

File name for output map file on unit   1 : staraniso_alldata.msk
logical name MSKOUT


No. of reflections in ice-rings omitted from anisotropy optimization:    7377 /   58467

########################################################################################################################################################################################################


Determination of anisotropy of I/eE(I): estimate initial overall scale factor & Beq.
====================================================================================

MLOPTI starting values.

Scale & B tensor:                   4.660E+00      2.97     2.97     2.97


Scale:                         8.960E-01    [ = factor to place Iobs on same scale as Iprofile/100.]
Beq:                               23.59    [ = equivalent overall isotropic B factor on Fs.]

SU  of overall scale       :   0.0019
SU  of Beq                 :     0.12

########################################################################################################################################################################################################


Determination of anisotropy of I/eE(I): estimate overall scale factor & B tensor.
=================================================================================

Using default B tensors.

MLOPTI starting values.

Scale & B tensor:                   8.960E-01      2.97     2.97     2.97


Scale:                         5.205E-01    [ = factor to place Iobs on same scale as Iprofile/100.]
Beq:                               42.51    [ = equivalent overall isotropic B factor on Fs.]

                                               B11      B22      B33
Delta-B tensor:                              14.58    14.58   -29.17

SU  of overall scale       :   0.0012
SUs of Baniso tensor       :     0.20     0.15
SUs of delta-B tensor      :     0.07     0.07     0.15

Note: the delta-B tensor is the overall anisotropy tensor on Fs after subtraction of Beq from its
diagonal elements (so trace = 0).

Eigenvalues (E) & eigenvectors of overall anisotropy (B) tensor on Fs:

                              57.09         1.0000   0.0000   0.0000       0.894 _a_* - 0.447 _b_*
                              57.09         0.0000   1.0000   0.0000       _b_*
                              13.34         0.0000   0.0000   1.0000       _c_*

The eigenvalues and eigenvectors of the overall B tensor are the squares of the lengths and the
directions of the principal axes of the ellipsoid that represents the tensor.

Delta-B eigenvalues:                    14.58    14.58   -29.17

The delta-B eigenvalues are the eigenvalues of the overall anisotropy tensor after subtraction of
Beq (so sum = 0).

########################################################################################################################################################################################################



Mean -ln(likelihood) by d*^3 bin:

 Bin, d_min, #refls_used, -LL_used, #refls_iced, -LL_iced, I=ice-ring.

   1   5.672    3100      3.11       0      0.00
   2   4.479    3100      2.52       0      0.00
   3   3.907    3041      2.18      59      1.95   I
   4   3.547    2328      1.89     772      1.89   I
   5   3.291    2520      1.68     579      1.68   I
   6   3.095    3100      1.32       0      0.00
   7   2.940    3100      1.06       0      0.00
   8   2.810    3100      0.81       0      0.00
   9   2.701    3100      0.62       0      0.00
  10   2.563    2807      0.37     293      0.39   I
  11   2.485    3100      0.18       0      0.00
  12   2.413    3100      0.08       0      0.00
  13   2.348    3100     -0.07       0      0.00
  14   2.283    3100     -0.03       0      0.00
  15   2.203    1788     -0.13    1311      0.04   I
  16   2.136    3100     -0.11       0      0.00
  17   2.055    2335     -0.16     765     -0.01   I
  18   1.979    2776      0.04     324      0.21   I
  19   1.897     791     -0.19    2309      0.11   I
  20   1.725    2135      0.05     965      0.12   I

Anisotropy ratio:             1.029    [ = (Emax - Emin) / Beq ]
Fractional anisotropy:        0.535    [ = sqrt(1.5 Sum_i (E_i - Beq)^2 / Sum_i E_i^2) ]

########################################################################################################################################################################################################


Determination of expected intensity.
====================================

$TABLE: Mean I/J statistics:
$GRAPHS: Mean I/J:0|0.3362x0|     2:2,5,6: $$

 Bin  d*mean^2  d_min  Nref  mean_I/J  mean_I/J_smoothed  $$
$$
    1   0.0156   5.672     3100    0.987    0.978
    2   0.0405   4.479     3100    0.959    0.981
    3   0.0577   3.907     3100    0.989    1.004
    4   0.0725   3.547     3100    1.048    1.040
    5   0.0859   3.291     3099    1.107    1.053
    6   0.0984   3.095     3100    1.010    1.026
    7   0.1100   2.940     3100    0.982    0.990
    8   0.1212   2.810     3100    0.957    0.973
    9   0.1319   2.701     3100    0.975    0.972
   10   0.1447   2.563     3100    0.982    0.979
   11   0.1571   2.485     3100    0.966    0.995
   12   0.1668   2.413     3100    1.051    1.020
   13   0.1766   2.348     3100    1.017    1.043
   14   0.1866   2.283     3100    1.099    1.051
   15   0.1989   2.203     3099    1.017    1.037
   16   0.2126   2.136     3100    1.032    1.010
   17   0.2280   2.055     3100    0.942    0.992
   18   0.2461   1.979     3100    1.025    0.993
   19   0.2667   1.897     3100    0.978    1.001
   20   0.3071   1.725     3100    1.020    1.007
$$
Overall:                  61998    1.007

$TABLE: ln(mean Iexp), ln(mean Iobs) and mean Z:
$GRAPHS: ln(mean Iexp) & ln(mean Iobs):0|0.2959x   3.55|   6.83:2,6,7:
: mean Z = mean Iobs/Iexp:0|0.2959x 0.942| 1.101:2,8,9,10: $$

 Bin  d*mean^2  d_min  Nrefls  mean_I/sd(I)  ln(mean_Iexp)  ln(mean_Iobs)
                                                     mean_Zraw  mean_Zsmooth  mean_Zrenorm  $$
$$
   1   0.0197    5.672     3100        74.930    6.60    6.56        0.976    0.972    0.996
   2   0.0410    4.479     3100        66.768    6.67    6.64        0.962    0.975    0.991
   3   0.0580    3.907     3100        64.922    6.83    6.81        0.978    0.996    0.994
   4   0.0727    3.547     3100        52.971    6.63    6.66        1.034    1.031    1.009
   5   0.0860    3.291     3099        45.473    6.39    6.48        1.099    1.047    1.017
   6   0.0984    3.095     3100        34.756    6.09    6.10        1.015    1.025    1.007
   7   0.1101    2.940     3100        28.027    5.83    5.81        0.983    0.987    0.993
   8   0.1212    2.810     3100        21.241    5.60    5.54        0.942    0.967    0.989
   9   0.1319    2.701     3100        16.484    5.41    5.38        0.969    0.968    0.994
  10   0.1471    2.563     3100        13.783    5.22    5.21        0.987    0.979    0.996
  11   0.1571    2.485     3100        11.810    5.11    5.07        0.966    0.995    0.997
  12   0.1669    2.413     3100        10.969    5.02    5.07        1.048    1.019    1.000
  13   0.1766    2.348     3100         9.337    4.95    4.97        1.013    1.042    1.006
  14   0.1865    2.283     3100         8.527    4.89    4.98        1.101    1.052    1.010
  15   0.1989    2.203     3099         7.637    4.81    4.83        1.023    1.040    1.006
  16   0.2125    2.136     3100         7.441    4.68    4.72        1.034    1.014    0.996
  17   0.2269    2.055     3100         6.249    4.55    4.50        0.946    0.998    0.991
  18   0.2459    1.979     3100         6.273    4.30    4.34        1.034    1.000    0.997
  19   0.2662    1.897     3100         3.507    3.99    3.98        0.989    1.008    1.001
  20   0.2959    1.725     3100         1.939    3.55    3.56        1.022    1.012    1.003
$$

All data                  61998        24.652                        1.006             1.000


Chi^2, RMSD(Z) =    19.86    0.045    0.027    0.008

FORMATTED      UNKNOWN file opened on unit   7
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: ISMEAN, Filename: staraniso_alldata.ismean-asym.hkl
<!--SUMMARY_END--></FONT></B>


Ranges of local mean I/sd(I):

                       ISmean
  0   Grey       (B)     Unobservable*
  1   Blue       (N)      Observable*
  2   Red|Pink:9 (O)     1.20
  3   Orange     (Cl)    8.50
  4   Yellow     (S)    32.10
  5   Green      (C)    65.37
  6   Cyan       (F)    89.37
  7   Magenta    (P)   103.00
  8   White      (H)   106.68

* Refer to GLOSSARY for explanation of terminology.

########################################################################################################################################################################################################


Correction of reflections for Bayesian truncation and/or anisotropy.
====================================================================

Anisotropic S/N ratio:        55.84    [ = max_h | exp(4 pi^2 s~_h delta(B) s_h) - 1 | <I_h/sd(I_h)> ]

The 'anisotropic S/N ratio', unlike the 'anisotropy ratio' or the 'fractional anisotropy' shown
above, in addition to the anisotropy of the B tensor, takes both the diffraction and the local mean
I/sd(I) into account.

########################################################################################################################################################################################################


$TABLE: Final ln(mean I) statistics:
$GRAPHS: ln(mean I)(iso):0|0.2959x0| 6.840:4,3,6,7:
: ln(mean I)(aniso):0|0.2959x0| 6.840:8,10,11: $$

 Bin  ln(S)  d*mean(iso)^2  d*mean(aniso)^2  N(obs,aniso)  ln(mean_I)(uncorr,aniso) ln(mean_I)(aniso-corr,aniso) $$
$$

    1    6.39      0.0197    3100    6.36    6.56
    2    6.70      0.0410    3100    6.07    6.64
    3    6.84      0.0580    3100    6.12    6.81
    4    6.63      0.0727    3100    5.82    6.66
    5    6.39      0.0860    3099    5.48    6.48
    6    6.08      0.0984    3100    4.95    6.10
    7    5.82      0.1101    3100    4.60    5.81
    8    5.59      0.1212    3100    4.21    5.54
    9    5.40      0.1319    3100    3.95    5.38
   10    5.22      0.1471    3100    3.70    5.21
   11    5.10      0.1571    3100    3.45    5.07
   12    5.02      0.1669    3100    3.40    5.07
   13    4.95      0.1766    3100    3.19    4.97
   14    4.89      0.1865    3100    3.18    4.98
   15    4.81      0.1989    3099    3.08    4.83
   16    4.69      0.2125    3100    2.96    4.72
   17    4.56      0.2269    3100    2.77    4.50
   18    4.30      0.2459    3100    2.76    4.34
   19    3.99      0.2662    3100    2.40    3.98
   20    3.52      0.2959    3100    2.01    3.56
$$

########################################################################################################################################################################################################


$TABLE : Observed moments of Z^k (k = .5, 1, 1.5, 2, 3, 4) by d_min (CENTRICS):
$GRAPHS: <Z^.5> & <Z^1.5> for CENTRICS (normal = 0.798, 1.596; perfect twin = 0.886, 1.329):0|0.2959x.3|3:2,7,5:
: <Z> & <Z^2> for CENTRICS (normal = 1, 3; perfect twin = 1, 2):0|0.2959x0|6:2,8,6:
: <Z^3> & <Z^4> for CENTRICS (normal = 15, 105; perfect twin = 6, 24):0|0.2959x0|200:2,10,9:
: sqrt(<(Z-1)^2>) & sqrt(<(Z^2-E(Z^2))^2>) for CENTRICS (normal = 1.414, 9.8; perfect twin = 1, 4.47):0|0.2959x0|20:2,12,11:  $$

 Bin  1/d_min^2  d_min  Nref  <Z^.5> <Z>  <Z^1.5>  <Z^2>  <Z^3>  <Z^4>  sqrt(<(Z-<Z>)^2>)  sqrt(<(Z^2-<Z^2>)^2>)  $$
$$
  1   0.0197   5.672   4176       0.802   1.008   1.560    2.814    11.93      63.1       1.341     7.43
  2   0.0410   4.479   2636       0.773   0.911   1.352    2.338     9.61      52.6       1.228     6.87
  3   0.0580   3.907   2306       0.848   1.121   1.957    4.240    32.72     380.8       1.727    19.05
  4   0.0727   3.547   2023       0.904   1.291   2.289    4.593    22.93     136.9       1.710    10.76
  5   0.0860   3.291   1802       0.904   1.256   2.253    4.811    30.85     256.5       1.798    15.28
  6   0.0984   3.095   1723       0.729   0.886   1.404    2.615    11.98      66.5       1.353     7.72
  7   0.1101   2.940   1723       0.787   0.957   1.484    2.679    11.50      61.0       1.328     7.33
  8   0.1212   2.810   1639       0.878   1.274   2.486    5.987    55.98     787.6       2.089    27.42
  9   0.1319   2.701   1578       0.820   1.110   1.959    4.087    26.38     249.4       1.690    15.26
 10   0.1471   2.563   1453       0.748   0.865   1.328    2.408    12.06      83.5       1.288     8.82
 11   0.1571   2.485   1441       0.764   0.967   1.630    3.163    15.61      95.0       1.493     9.22
 12   0.1669   2.413   1362       0.829   1.128   2.049    4.311    26.59     220.0       1.744    14.19
 13   0.1766   2.348   1237       0.840   1.127   2.002    4.025    21.39     144.9       1.660    11.35
 14   0.1865   2.283   1219       0.845   1.050   1.774    3.413    17.35     126.5       1.520    10.72
 15   0.1989   2.203   1308       0.740   0.850   1.357    2.379     8.74      39.8       1.287     5.84
 16   0.2125   2.136   1369       0.801   0.981   1.506    2.496     7.93      29.5       1.238     4.82
 17   0.2269   2.055   1381       0.737   0.852   1.296    2.166     7.52      32.4       1.200     5.27
 18   0.2459   1.979   1610       0.741   0.842   1.222    1.965     6.45      27.0       1.121     4.81
 19   0.2662   1.897   1434       0.665   0.702   1.213    2.314     9.77      63.9       1.350     7.65
 20   0.2959   1.725   1146       0.805   0.969   1.805    3.798    24.38     230.5       1.691    14.70
$$

Overall:              30664       0.806   1.026   1.713    3.365    19.16     166.0       1.521    12.44
Normal:                           0.798   1.000   1.596    3.000    15.00     105.0       1.414     9.80
Twinned:                          0.886   1.000   1.329    2.000     6.00      24.0       1.000     4.47

Variance ratio (normal):           1.08    1.16    1.30     1.61     2.71      3.91
Variance ratio (twinned):          1.83    2.33    3.84     7.74    40.29    198.22


$TABLE : Observed moments of Z^k (k = .5, 1, 1.5, 2, 3, 4) by d_min (ACENTRICS):
$GRAPHS: <Z^.5> & <Z^1.5> for ACENTRICS (normal = 0.886, 1.329; perfect twin = 0.94, 1.175):0|0.2959x.5|2:2,7,5:
: <Z> & <Z^2> for ACENTRICS (normal = 1, 2; perfect twin = 1, 1.5):0|0.2959x.5|3:2,8,6:
: <Z^3> & <Z^4> for ACENTRICS (normal = 6, 24; perfect twin = 3, 7.5):0|0.2959x0|40:2,10,9:
: sqrt(<(Z-1)^2>) & sqrt(<(Z^2-E(Z^2))^2>) for ACENTRICS (normal = 1, 4.47; perfect twin = 0.707, 2.29):0|0.2959x0|8:2,12,11:  $$

 Bin  1/d_min^2  d_min  Nref  <Z^.5>  <Z>  <Z^1.5>  <Z^2>  <Z^3>  <Z^4>  sqrt(<(Z-<Z>)^2>)  sqrt(<(Z^2-<Z^2>)^2>)  $$
$$
  1   0.0197   5.672  28680       0.873   0.971   1.277    1.912     5.77      23.3       0.985     4.43
  2   0.0410   4.479  31908       0.869   0.967   1.270    1.889     5.51      21.1       0.977     4.19
  3   0.0580   3.907  32568       0.863   0.968   1.301    2.003     6.43      27.6       1.032     4.86
  4   0.0727   3.547  33144       0.885   1.018   1.394    2.167     6.87      28.4       1.063     4.87
  5   0.0860   3.291  33564       0.911   1.090   1.568    2.591     9.71      50.6       1.184     6.62
  6   0.0984   3.095  33744       0.886   1.022   1.411    2.237     7.58      34.0       1.093     5.38
  7   0.1101   2.940  33744       0.871   0.985   1.325    2.029     6.29      25.2       1.030     4.59
  8   0.1212   2.810  33912       0.837   0.926   1.234    1.884     5.96      25.2       1.013     4.66
  9   0.1319   2.701  34044       0.856   0.963   1.296    1.982     6.18      25.5       1.027     4.64
 10   0.1471   2.563  34284       0.860   0.992   1.387    2.204     7.52      34.7       1.104     5.46
 11   0.1571   2.485  34308       0.855   0.966   1.325    2.063     6.86      31.3       1.063     5.20
 12   0.1669   2.413  34476       0.895   1.045   1.463    2.290     7.53      35.8       1.094     5.53
 13   0.1766   2.348  34716       0.869   1.009   1.440    2.295     7.79      37.2       1.130     5.65
 14   0.1865   2.283  34752       0.902   1.103   1.666    2.770     9.69      43.9       1.246     6.02
 15   0.1989   2.203  34572       0.877   1.029   1.484    2.395     8.48      44.5       1.156     6.23
 16   0.2125   2.136  34452       0.886   1.037   1.489    2.391     8.15      37.9       1.148     5.67
 17   0.2269   2.055  34428       0.841   0.950   1.345    2.120     6.88      30.7       1.104     5.12
 18   0.2459   1.979  33960       0.883   1.043   1.519    2.480     8.72      41.2       1.180     5.92
 19   0.2662   1.897  34332       0.861   1.001   1.458    2.351     7.98      37.5       1.161     5.65
 20   0.2959   1.725  34908       0.870   1.024   1.528    2.474     8.05      34.3       1.194     5.31
$$

Overall:             586056       0.875   1.010   1.411    2.226     7.38      33.1       1.099     5.31
Normal:                           0.886   1.000   1.329    2.000     6.00      24.0       1.000     4.47
Twinned:                          0.940   1.000   1.175    1.500     3.00       7.5       0.707     2.29

Variance ratio (normal):           1.19    1.21    1.27     1.41     1.74      2.04
Variance ratio (twinned):          2.20    2.41    3.33     5.36    17.08     59.69


$TABLE: Observed cumulative Z distribution:
$GRAPHS: Cumulative Z distribution (centric and acentric):0|5x0|125:1,2,3,4,5,6:  $$
        Z   Cent_theor   Cent_obs  Acent_theor  Acent_twin  Acent_obs  $$
$$
       0.0       0.0       7.3       0.0       0.0       4.9
       0.1      24.8      25.0       9.5       1.8      12.6
       0.2      34.5      34.5      18.1       6.2      20.5
       0.3      41.6      41.1      25.9      12.2      27.7
       0.4      47.3      46.7      33.0      19.1      34.4
       0.5      52.0      51.5      39.3      26.4      40.4
       0.6      56.1      55.2      45.1      33.7      45.6
       0.7      59.7      58.2      50.3      40.8      50.6
       0.8      62.9      61.3      55.1      47.5      55.1
       0.9      65.7      64.4      59.3      53.7      59.2
       1.0      68.3      67.2      63.2      59.4      62.8
       1.1      70.6      69.6      66.7      64.5      66.3
       1.2      72.7      72.0      69.9      69.2      69.5
       1.3      74.6      74.0      72.7      73.3      72.2
       1.4      76.3      75.8      75.3      76.9      74.7
       1.5      77.9      77.1      77.7      80.1      77.0
       1.6      79.4      78.3      79.8      82.9      79.0
       1.7      80.8      79.8      81.7      85.3      80.9
       1.8      82.0      81.6      83.5      87.4      82.5
       1.9      83.2      82.9      85.0      89.3      84.1
       2.0      84.3      83.9      86.5      90.8      85.5
       2.1      85.3      84.6      87.8      92.2      86.8
       2.2      86.2      85.3      88.9      93.4      87.9
       2.3      87.1      86.3      90.0      94.4      89.0
       2.4      87.9      87.1      90.9      95.2      89.9
       2.5      88.6      87.9      91.8      96.0      90.8
       2.6      89.3      88.8      92.6      96.6      91.5
       2.7      90.0      89.5      93.3      97.1      92.3
       2.8      90.6      90.0      93.9      97.6      93.0
       2.9      91.1      90.5      94.5      97.9      93.6
       3.0      91.7      91.2      95.0      98.3      94.2
       3.1      92.2      91.7      95.5      98.5      94.6
       3.2      92.6      92.2      95.9      98.8      95.0
       3.3      93.1      92.6      96.3      99.0      95.4
       3.4      93.5      92.9      96.7      99.1      95.9
       3.5      93.9      93.3      97.0      99.3      96.2
       3.6      94.2      93.7      97.3      99.4      96.6
       3.7      94.6      94.0      97.5      99.5      96.9
       3.8      94.9      94.4      97.8      99.6      97.1
       3.9      95.2      94.8      98.0      99.6      97.4
       4.0      95.4      95.0      98.2      99.7      97.6
       4.1      95.7      95.3      98.3      99.7      97.8
       4.2      96.0      95.6      98.5      99.8      98.0
       4.3      96.2      95.8      98.6      99.8      98.1
       4.4      96.4      96.0      98.8      99.9      98.3
       4.5      96.6      96.2      98.9      99.9      98.4
       4.6      96.8      96.5      99.0      99.9      98.5
       4.7      97.0      96.7      99.1      99.9      98.7
       4.8      97.2      96.8      99.2      99.9      98.8
       4.9      97.3      97.0      99.3      99.9      98.9
       5.0      97.5      97.1      99.3     100.0      99.0
$$


$TABLE: Observed acentric cumulative Z distribution (error-free):
$GRAPHS: Cumulative Z distribution:0|5x0|125:1,2,3,4,5,6,7,8:  $$
        Z  Acent(TF=0)  Acent(TF=0.1)  Acent(TF=0.2)  Acent(TF=0.3)  Acent(TF=0.4)  Acent(TF=0.5)  Acent_obs  $$
$$
       0.0       0.0       0.0       0.0       0.0       0.0       0.0       4.9
       0.1       9.5       3.9       2.6       2.0       1.8       1.8      12.6
       0.2      18.1      11.6       8.4       7.0       6.3       6.2      20.5
       0.3      25.9      20.0      15.8      13.6      12.5      12.2      27.7
       0.4      33.0      28.1      23.6      20.9      19.5      19.1      34.4
       0.5      39.3      35.5      31.4      28.5      26.9      26.4      40.4
       0.6      45.1      42.3      38.7      35.9      34.3      33.7      45.6
       0.7      50.3      48.3      45.4      42.9      41.3      40.8      50.6
       0.8      55.1      53.8      51.6      49.4      48.0      47.5      55.1
       0.9      59.3      58.6      57.1      55.4      54.1      53.7      59.2
       1.0      63.2      63.0      62.0      60.7      59.7      59.4      62.8
       1.1      66.7      66.9      66.4      65.6      64.8      64.5      66.3
       1.2      69.9      70.3      70.3      69.9      69.4      69.2      69.5
       1.3      72.7      73.5      73.8      73.7      73.4      73.3      72.2
       1.4      75.3      76.3      76.9      77.0      76.9      76.9      74.7
       1.5      77.7      78.7      79.6      80.0      80.1      80.1      77.0
       1.6      79.8      81.0      82.0      82.6      82.8      82.9      79.0
       1.7      81.7      83.0      84.1      84.8      85.2      85.3      80.9
       1.8      83.5      84.8      85.9      86.8      87.3      87.4      82.5
       1.9      85.0      86.4      87.6      88.5      89.1      89.3      84.1
       2.0      86.5      87.8      89.1      90.0      90.6      90.8      85.5
       2.1      87.8      89.1      90.3      91.4      92.0      92.2      86.8
       2.2      88.9      90.2      91.5      92.5      93.1      93.4      87.9
       2.3      90.0      91.3      92.5      93.5      94.1      94.4      89.0
       2.4      90.9      92.2      93.4      94.3      95.0      95.2      89.9
       2.5      91.8      93.0      94.1      95.1      95.7      96.0      90.8
       2.6      92.6      93.7      94.8      95.7      96.4      96.6      91.5
       2.7      93.3      94.4      95.4      96.3      96.9      97.1      92.3
       2.8      93.9      95.0      96.0      96.8      97.4      97.6      93.0
       2.9      94.5      95.5      96.4      97.2      97.8      97.9      93.6
       3.0      95.0      96.0      96.9      97.6      98.1      98.3      94.2
       3.1      95.5      96.4      97.2      97.9      98.4      98.5      94.6
       3.2      95.9      96.8      97.6      98.2      98.6      98.8      95.0
       3.3      96.3      97.1      97.8      98.4      98.8      99.0      95.4
       3.4      96.7      97.4      98.1      98.6      99.0      99.1      95.9
       3.5      97.0      97.7      98.3      98.8      99.2      99.3      96.2
       3.6      97.3      97.9      98.5      99.0      99.3      99.4      96.6
       3.7      97.5      98.2      98.7      99.1      99.4      99.5      96.9
       3.8      97.8      98.3      98.8      99.2      99.5      99.6      97.1
       3.9      98.0      98.5      99.0      99.3      99.6      99.6      97.4
       4.0      98.2      98.7      99.1      99.4      99.6      99.7      97.6
       4.1      98.3      98.8      99.2      99.5      99.7      99.7      97.8
       4.2      98.5      98.9      99.3      99.6      99.7      99.8      98.0
       4.3      98.6      99.1      99.4      99.6      99.8      99.8      98.1
       4.4      98.8      99.2      99.5      99.7      99.8      99.9      98.3
       4.5      98.9      99.2      99.5      99.7      99.8      99.9      98.4
       4.6      99.0      99.3      99.6      99.8      99.9      99.9      98.5
       4.7      99.1      99.4      99.6      99.8      99.9      99.9      98.7
       4.8      99.2      99.5      99.7      99.8      99.9      99.9      98.8
       4.9      99.3      99.5      99.7      99.8      99.9      99.9      98.9
       5.0      99.3      99.6      99.7      99.9      99.9     100.0      99.0
$$


$TABLE: Observed acentric cumulative Z distribution (assuming errors):
$GRAPHS: Cumulative Z distribution:-1.9|5x0|125:1,2,3,4,5,6,7,8:  $$
        Z  Acent(TF=0)  Acent(TF=0.1)  Acent(TF=0.2)  Acent(TF=0.3)  Acent(TF=0.4)  Acent(TF=0.5)  Acent_obs  $$
$$
      -1.9       0.4       0.4       0.4       0.3       0.3       0.3       0.0
      -1.8       0.5       0.5       0.4       0.4       0.4       0.4       0.0
      -1.7       0.6       0.5       0.5       0.5       0.4       0.4       0.0
      -1.6       0.7       0.7       0.6       0.6       0.6       0.6       0.0
      -1.5       1.2       1.1       1.0       1.0       1.0       1.0       0.0
      -1.4       1.5       1.4       1.3       1.2       1.2       1.2       0.0
      -1.3       1.8       1.7       1.6       1.5       1.4       1.4       0.0
      -1.2       2.5       2.3       2.2       2.1       2.0       2.0       0.1
      -1.1       2.9       2.7       2.5       2.4       2.3       2.3       0.1
      -1.0       3.4       3.1       2.9       2.8       2.7       2.7       0.1
      -0.9       4.0       3.6       3.4       3.3       3.2       3.2       0.2
      -0.8       4.8       4.4       4.1       3.9       3.8       3.8       0.2
      -0.7       5.6       5.1       4.8       4.5       4.4       4.4       0.4
      -0.6       6.5       6.0       5.6       5.3       5.2       5.2       0.5
      -0.5       7.7       7.0       6.5       6.2       6.1       6.0       0.7
      -0.4       8.9       8.1       7.5       7.2       7.0       6.9       1.0
      -0.3      10.4       9.5       8.8       8.4       8.2       8.1       1.4
      -0.2      12.1      11.0      10.2       9.6       9.4       9.3       2.1
      -0.1      14.2      12.6      11.7      11.1      10.7      10.6       2.9
       0.0      16.8      14.5      13.2      12.5      12.1      11.9       4.9
       0.1      23.3      17.8      15.6      14.5      13.9      13.7      12.6
       0.2      29.9      23.7      20.3      18.6      17.7      17.4      20.5
       0.3      36.1      30.3      26.3      24.0      22.8      22.4      27.7
       0.4      41.8      36.8      32.6      30.0      28.6      28.2      34.4
       0.5      47.1      42.9      38.9      36.2      34.7      34.2      40.4
       0.6      51.8      48.5      44.9      42.3      40.8      40.3      45.6
       0.7      56.2      53.5      50.6      48.2      46.7      46.2      50.6
       0.8      60.2      58.1      55.7      53.6      52.3      51.8      55.1
       0.9      63.8      62.3      60.4      58.7      57.5      57.1      59.2
       1.0      67.1      66.1      64.7      63.3      62.4      62.0      62.8
       1.1      70.1      69.5      68.6      67.5      66.8      66.5      66.3
       1.2      72.9      72.5      72.0      71.3      70.8      70.5      69.5
       1.3      75.4      75.3      75.1      74.7      74.3      74.2      72.2
       1.4      77.6      77.8      77.9      77.8      77.5      77.5      74.7
       1.5      79.7      80.1      80.4      80.4      80.4      80.4      77.0
       1.6      81.6      82.1      82.6      82.8      82.9      82.9      79.0
       1.7      83.3      83.9      84.5      85.0      85.1      85.2      80.9
       1.8      84.9      85.6      86.3      86.8      87.1      87.2      82.5
       1.9      86.3      87.0      87.8      88.5      88.8      88.9      84.1
       2.0      87.5      88.4      89.2      89.9      90.3      90.5      85.5
       2.1      88.7      89.6      90.4      91.2      91.6      91.8      86.8
       2.2      89.8      90.6      91.5      92.3      92.8      92.9      87.9
       2.3      90.7      91.6      92.5      93.3      93.8      93.9      89.0
       2.4      91.6      92.4      93.3      94.1      94.6      94.8      89.9
       2.5      92.4      93.2      94.1      94.8      95.3      95.5      90.8
       2.6      93.1      93.9      94.8      95.5      96.0      96.2      91.5
       2.7      93.7      94.5      95.4      96.1      96.5      96.7      92.3
       2.8      94.3      95.1      95.9      96.6      97.0      97.2      93.0
       2.9      94.8      95.6      96.3      97.0      97.4      97.6      93.6
       3.0      95.3      96.0      96.8      97.4      97.8      97.9      94.2
       3.1      95.7      96.4      97.1      97.7      98.1      98.2      94.6
       3.2      96.1      96.8      97.4      98.0      98.4      98.5      95.0
       3.3      96.5      97.1      97.7      98.2      98.6      98.7      95.4
       3.4      96.8      97.4      98.0      98.5      98.8      98.9      95.9
       3.5      97.1      97.7      98.2      98.7      99.0      99.1      96.2
       3.6      97.4      97.9      98.4      98.8      99.1      99.2      96.6
       3.7      97.6      98.1      98.6      99.0      99.2      99.3      96.9
       3.8      97.9      98.3      98.8      99.1      99.3      99.4      97.1
       3.9      98.1      98.5      98.9      99.2      99.4      99.5      97.4
       4.0      98.2      98.7      99.0      99.3      99.5      99.6      97.6
       4.1      98.4      98.8      99.1      99.4      99.6      99.7      97.8
       4.2      98.6      98.9      99.2      99.5      99.6      99.7      98.0
       4.3      98.7      99.0      99.3      99.6      99.7      99.8      98.1
       4.4      98.8      99.1      99.4      99.6      99.7      99.8      98.3
       4.5      98.9      99.2      99.5      99.7      99.8      99.8      98.4
       4.6      99.0      99.3      99.5      99.7      99.8      99.8      98.5
       4.7      99.1      99.4      99.6      99.7      99.8      99.9      98.7
       4.8      99.2      99.4      99.6      99.8      99.9      99.9      98.8
       4.9      99.3      99.5      99.7      99.8      99.9      99.9      98.9
       5.0      99.3      99.5      99.7      99.8      99.9      99.9      99.0
$$

########################################################################################################################################################################################################


$TABLE : Posterior moments of Z^k (k = .5, 1, 1.5, 2, 3, 4) by d_min (CENTRICS):
$GRAPHS: <Z^.5> & <Z^1.5> for CENTRICS (normal = 0.798, 1.596; perfect twin = 0.886, 1.329):0|0.2959x.3|3:2,7,5:
: <Z> & <Z^2> for CENTRICS (normal = 1, 3; perfect twin = 1, 2):0|0.2959x0|6:2,8,6:
: <Z^3> & <Z^4> for CENTRICS (normal = 15, 105; perfect twin = 6, 24):0|0.2959x0|200:2,10,9:
: sqrt(<(Z-1)^2>) & sqrt(<(Z^2-E(Z^2))^2>) for CENTRICS (normal = 1.414, 9.8; perfect twin = 1, 4.47):0|0.2959x0|20:2,12,11:  $$

 Bin  1/d_min^2  d_min  Nref  <Z^.5> <Z>  <Z^1.5>  <Z^2>  <Z^3>  <Z^4>  sqrt(<(Z-<Z>)^2>)  sqrt(<(Z^2-<Z^2>)^2>)  $$
$$
  1   0.0197   5.672   4176       0.802   1.007   1.559    2.811    11.90      62.9       1.340     7.42
  2   0.0410   4.479   2636       0.773   0.911   1.351    2.335     9.59      52.5       1.227     6.86
  3   0.0580   3.907   2306       0.847   1.121   1.955    4.235    32.67     380.0       1.726    19.03
  4   0.0727   3.547   2023       0.904   1.290   2.287    4.588    22.89     136.6       1.709    10.75
  5   0.0860   3.291   1802       0.902   1.255   2.251    4.806    30.80     256.0       1.797    15.26
  6   0.0984   3.095   1723       0.730   0.887   1.403    2.612    11.96      66.4       1.351     7.72
  7   0.1101   2.940   1723       0.784   0.954   1.478    2.668    11.43      60.5       1.326     7.31
  8   0.1212   2.810   1639       0.876   1.273   2.473    5.953    55.61     782.1       2.082    27.33
  9   0.1319   2.701   1578       0.822   1.112   1.945    4.057    26.25     248.3       1.679    15.23
 10   0.1471   2.563   1453       0.760   0.882   1.309    2.368    12.01      83.4       1.261     8.82
 11   0.1571   2.485   1441       0.773   0.973   1.600    3.101    15.43      94.1       1.468     9.19
 12   0.1669   2.413   1362       0.830   1.127   1.981    4.138    25.56     211.7       1.694    13.95
 13   0.1766   2.348   1237       0.830   1.124   1.939    3.879    20.64     138.5       1.617    11.11
 14   0.1865   2.283   1219       0.841   1.063   1.698    3.220    16.81     122.6       1.445    10.59
 15   0.1989   2.203   1308       0.746   0.867   1.266    2.119     7.56      32.7       1.169     5.31
 16   0.2125   2.136   1369       0.789   0.962   1.419    2.330     7.55      28.4       1.185     4.79
 17   0.2269   2.055   1381       0.728   0.836   1.206    1.998     7.07      31.1       1.140     5.21
 18   0.2459   1.979   1610       0.724   0.806   1.105    1.718     5.35      21.4       1.033     4.29
 19   0.2662   1.897   1434       0.670   0.737   1.066    1.860     8.27      51.0       1.148     6.90
 20   0.2959   1.725   1146       0.756   0.924   1.513    3.084    20.15     185.9       1.493    13.28
$$

Overall:              30664       0.803   1.024   1.678    3.286    18.79     162.8       1.496    12.33
Normal:                           0.798   1.000   1.596    3.000    15.00     105.0       1.414     9.80
Twinned:                          0.886   1.000   1.329    2.000     6.00      24.0       1.000     4.47

Variance ratio (normal):           1.00    1.11    1.27     1.57     2.65      3.84
Variance ratio (twinned):          1.69    2.21    3.74     7.54    39.39    194.68


$TABLE : Posterior moments of Z^k (k = .5, 1, 1.5, 2, 3, 4) by d_min (ACENTRICS):
$GRAPHS: <Z^.5> & <Z^1.5> for ACENTRICS (normal = 0.886, 1.329; perfect twin = 0.94, 1.175):0|0.2959x.5|2:2,7,5:
: <Z> & <Z^2> for ACENTRICS (normal = 1, 2; perfect twin = 1, 1.5):0|0.2959x.5|3:2,8,6:
: <Z^3> & <Z^4> for ACENTRICS (normal = 6, 24; perfect twin = 3, 7.5):0|0.2959x0|40:2,10,9:
: sqrt(<(Z-1)^2>) & sqrt(<(Z^2-E(Z^2))^2>) for ACENTRICS (normal = 1, 4.47; perfect twin = 0.707, 2.29):0|0.2959x0|8:2,12,11:  $$

 Bin  1/d_min^2  d_min  Nref  <Z^.5>  <Z>  <Z^1.5>  <Z^2>  <Z^3>  <Z^4>  sqrt(<(Z-<Z>)^2>)  sqrt(<(Z^2-<Z^2>)^2>)  $$
$$
  1   0.0197   5.672  28680       0.873   0.971   1.277    1.911     5.76      23.2       0.984     4.42
  2   0.0410   4.479  31908       0.869   0.966   1.269    1.887     5.51      21.1       0.977     4.18
  3   0.0580   3.907  32568       0.863   0.968   1.301    2.001     6.42      27.6       1.032     4.86
  4   0.0727   3.547  33144       0.885   1.018   1.393    2.165     6.86      28.3       1.063     4.86
  5   0.0860   3.291  33564       0.911   1.090   1.567    2.588     9.69      50.4       1.184     6.61
  6   0.0984   3.095  33744       0.887   1.021   1.409    2.233     7.56      33.9       1.091     5.37
  7   0.1101   2.940  33744       0.872   0.984   1.322    2.024     6.27      25.1       1.028     4.58
  8   0.1212   2.810  33912       0.841   0.926   1.229    1.875     5.93      25.1       1.008     4.64
  9   0.1319   2.701  34044       0.862   0.963   1.288    1.964     6.12      25.2       1.018     4.62
 10   0.1471   2.563  34284       0.870   0.994   1.368    2.163     7.37      33.8       1.084     5.40
 11   0.1571   2.485  34308       0.865   0.965   1.294    2.001     6.64      30.3       1.034     5.13
 12   0.1669   2.413  34476       0.899   1.033   1.404    2.169     7.06      33.1       1.050     5.33
 13   0.1766   2.348  34716       0.881   1.002   1.361    2.120     7.07      33.0       1.057     5.34
 14   0.1865   2.283  34752       0.913   1.085   1.537    2.471     8.40      36.9       1.137     5.55
 15   0.1989   2.203  34572       0.881   1.004   1.367    2.130     7.15      34.8       1.059     5.50
 16   0.2125   2.136  34452       0.886   1.007   1.359    2.092     6.68      28.4       1.038     4.90
 17   0.2269   2.055  34428       0.850   0.935   1.231    1.856     5.76      24.6       0.991     4.60
 18   0.2459   1.979  33960       0.886   1.020   1.407    2.228     7.61      34.7       1.090     5.45
 19   0.2662   1.897  34332       0.867   0.972   1.304    2.003     6.47      28.7       1.028     4.97
 20   0.2959   1.725  34908       0.876   0.983   1.313    1.998     6.18      25.1       1.015     4.60
$$

Overall:             586056       0.879   1.000   1.358    2.108     6.87      30.3       1.053     5.08
Normal:                           0.886   1.000   1.329    2.000     6.00      24.0       1.000     4.47
Twinned:                          0.940   1.000   1.175    1.500     3.00       7.5       0.707     2.29

Variance ratio (normal):           0.98    1.06    1.14     1.25     1.48      1.67
Variance ratio (twinned):          1.81    2.11    2.99     4.75    14.51     48.80


$TABLE: Posterior cumulative Z distribution:
$GRAPHS: Cumulative Z distribution (centric and acentric):0|5x0|125:1,2,3,4,5,6:  $$
        Z   Cent_theor   Cent_obs  Acent_theor  Acent_twin  Acent_obs  $$
$$
       0.0       0.0       0.0       0.0       0.0       0.0
       0.1      24.8      21.1       9.5       1.8       6.9
       0.2      34.5      32.7      18.1       6.2      15.7
       0.3      41.6      41.1      25.9      12.2      24.3
       0.4      47.3      47.2      33.0      19.1      32.7
       0.5      52.0      52.5      39.3      26.4      40.1
       0.6      56.1      56.2      45.1      33.7      46.2
       0.7      59.7      59.6      50.3      40.8      51.9
       0.8      62.9      62.8      55.1      47.5      56.8
       0.9      65.7      65.9      59.3      53.7      61.1
       1.0      68.3      68.5      63.2      59.4      64.9
       1.1      70.6      70.8      66.7      64.5      68.3
       1.2      72.7      73.0      69.9      69.2      71.5
       1.3      74.6      75.0      72.7      73.3      74.1
       1.4      76.3      76.8      75.3      76.9      76.6
       1.5      77.9      78.0      77.7      80.1      78.7
       1.6      79.4      79.3      79.8      82.9      80.6
       1.7      80.8      80.8      81.7      85.3      82.4
       1.8      82.0      82.4      83.5      87.4      84.0
       1.9      83.2      83.5      85.0      89.3      85.5
       2.0      84.3      84.5      86.5      90.8      86.7
       2.1      85.3      85.3      87.8      92.2      87.9
       2.2      86.2      86.0      88.9      93.4      89.0
       2.3      87.1      86.8      90.0      94.4      89.9
       2.4      87.9      87.7      90.9      95.2      90.8
       2.5      88.6      88.4      91.8      96.0      91.7
       2.6      89.3      89.1      92.6      96.6      92.3
       2.7      90.0      89.8      93.3      97.1      93.1
       2.8      90.6      90.3      93.9      97.6      93.6
       2.9      91.1      90.7      94.5      97.9      94.2
       3.0      91.7      91.4      95.0      98.3      94.7
       3.1      92.2      92.0      95.5      98.5      95.1
       3.2      92.6      92.5      95.9      98.8      95.6
       3.3      93.1      92.8      96.3      99.0      96.0
       3.4      93.5      93.2      96.7      99.1      96.3
       3.5      93.9      93.5      97.0      99.3      96.6
       3.6      94.2      93.9      97.3      99.4      96.9
       3.7      94.6      94.2      97.5      99.5      97.2
       3.8      94.9      94.6      97.8      99.6      97.4
       3.9      95.2      94.9      98.0      99.6      97.6
       4.0      95.4      95.2      98.2      99.7      97.8
       4.1      95.7      95.5      98.3      99.7      98.0
       4.2      96.0      95.7      98.5      99.8      98.2
       4.3      96.2      95.9      98.6      99.8      98.3
       4.4      96.4      96.1      98.8      99.9      98.5
       4.5      96.6      96.3      98.9      99.9      98.6
       4.6      96.8      96.6      99.0      99.9      98.7
       4.7      97.0      96.8      99.1      99.9      98.8
       4.8      97.2      96.9      99.2      99.9      98.9
       4.9      97.3      97.1      99.3      99.9      99.0
       5.0      97.5      97.2      99.3     100.0      99.1
$$

########################################################################################################################################################################################################


PADILLA-YEATES and DELTA-Z TWINNING TESTS.

Reflection index offsets:

  1    -2   2   0
  2     2   2   0
  3     0  -2   2
  4    -2   0   2
  5     2   0   2
  6     0   2   2


$TABLE : Padilla-Yeates L test for twinning (CENTRICS):
$GRAPHS: Cumulative distribution of |L| statistic (CENTRICS):0|1x0|1.2:1,4,2,3: $$

 |L|  Normal  Twinned  Observed   Nref  $$
$$
   0.0    0.000     0.0    0.000        0
   0.1    0.064     0.1    0.089     6458
   0.2    0.128     0.2    0.160    11618
   0.3    0.194     0.3    0.239    17296
   0.4    0.262     0.4    0.308    22334
   0.5    0.333     0.5    0.379    27466
   0.6    0.410     0.6    0.456    33062
   0.7    0.494     0.7    0.538    38954
   0.8    0.590     0.8    0.642    46494
   0.9    0.713     0.9    0.766    55504
   1.0    1.000     1.0    1.000    72570
$$

 <|L|> (normal = .637; perfect twin = .500):  0.595
 <L^2> (normal = .500; perfect twin = .333):  0.453


$TABLE : Padilla-Yeates L test for twinning (ACENTRICS):
$GRAPHS: Cumulative distribution of |L| statistic (ACENTRICS):0|1x0|1.2:1,3,1,2: $$

 |L|  Twinned  Observed    Nref  $$
$$
  0.00    0.000    0.000         0
  0.05    0.075    0.056    316188
  0.10    0.149    0.110    618036
  0.15    0.223    0.162    914316
  0.20    0.296    0.214   1207684
  0.25    0.367    0.266   1499340
  0.30    0.437    0.319   1798148
  0.35    0.504    0.372   2093060
  0.40    0.568    0.423   2381660
  0.45    0.629    0.475   2675116
  0.50    0.688    0.527   2968844
  0.55    0.742    0.579   3258460
  0.60    0.792    0.631   3550652
  0.65    0.838    0.682   3839684
  0.70    0.878    0.734   4131108
  0.75    0.914    0.785   4419444
  0.80    0.944    0.835   4702492
  0.85    0.968    0.885   4983676
  0.90    0.986    0.931   5244228
  0.95    0.996    0.973   5481452
  1.00    1.000    1.000   5630932
$$

<|L|> (normal = .500; perfect twin = .375):  0.476
<L^2> (normal = .333; perfect twin = .200):  0.305


$TABLE: Cumulative delta-Z distribution:
$GRAPHS: Cumulative delta-Z distribution:0|5x0|125:1,2,3,4,5,6: $$
        Z  Cent_theor  Cent_obs  Acent_theor  Acent_twin  Acent_obs  $$

$$
       0.0       0.0       0.0       0.0       0.0       0.0
       0.1      13.1      15.5       9.5       9.9      11.1
       0.2      21.8      25.2      18.1      19.6      20.4
       0.3      28.8      32.1      25.9      28.7      28.4
       0.4      34.8      38.2      33.0      37.1      35.5
       0.5      40.1      43.1      39.3      44.8      41.8
       0.6      44.7      47.2      45.1      51.8      47.4
       0.7      48.8      51.1      50.3      58.1      52.4
       0.8      52.6      54.9      55.1      63.7      56.9
       0.9      55.9      58.5      59.3      68.6      60.9
       1.0      59.0      61.7      63.2      72.9      64.5
       1.1      61.8      64.1      66.7      76.7      67.8
       1.2      64.4      66.8      69.9      80.0      70.7
       1.3      66.8      68.9      72.7      82.9      73.4
       1.4      69.0      70.7      75.3      85.4      75.8
       1.5      71.0      72.6      77.7      87.6      78.0
       1.6      72.9      74.3      79.8      89.4      79.9
       1.7      74.6      76.1      81.7      91.0      81.6
       1.8      76.2      77.8      83.5      92.3      83.3
       1.9      77.7      79.0      85.0      93.5      84.7
       2.0      79.1      80.2      86.5      94.5      86.0
       2.1      80.4      81.2      87.8      95.4      87.2
       2.2      81.6      82.4      88.9      96.1      88.3
       2.3      82.7      83.3      90.0      96.7      89.3
       2.4      83.8      84.3      90.9      97.2      90.2
       2.5      84.8      85.0      91.8      97.6      91.1
       2.6      85.7      85.9      92.6      98.0      91.8
       2.7      86.5      86.6      93.3      98.3      92.5
       2.8      87.3      87.4      93.9      98.6      93.2
       2.9      88.1      88.1      94.5      98.8      93.8
       3.0      88.8      88.8      95.0      99.0      94.3
       3.1      89.4      89.4      95.5      99.2      94.8
       3.2      90.1      90.0      95.9      99.3      95.2
       3.3      90.6      90.5      96.3      99.4      95.6
       3.4      91.2      90.9      96.7      99.5      95.9
       3.5      91.7      91.4      97.0      99.6      96.3
       3.6      92.2      92.1      97.3      99.7      96.6
       3.7      92.6      92.5      97.5      99.7      96.9
       3.8      93.0      92.9      97.8      99.8      97.1
       3.9      93.4      93.2      98.0      99.8      97.3
       4.0      93.8      93.7      98.2      99.8      97.5
       4.1      94.2      94.0      98.3      99.9      97.8
       4.2      94.5      94.3      98.5      99.9      97.9
       4.3      94.8      94.7      98.6      99.9      98.1
       4.4      95.1      95.0      98.8      99.9      98.2
       4.5      95.4      95.2      98.9      99.9      98.4
       4.6      95.6      95.5      99.0      99.9      98.5
       4.7      95.9      95.7      99.1     100.0      98.6
       4.8      96.1      95.9      99.2     100.0      98.7
       4.9      96.3      96.1      99.3     100.0      98.8
       5.0      96.5      96.4      99.3     100.0      98.9
$$

Moments of delta-Z for CENTRICS:
<delta-Z>   (normal = 1.273; perfect twin = 1.000):  1.247
<delta-Z^2> (normal = 4.000; perfect twin = 2.000):  4.306

Moments of delta-Z for ACENTRICS:
<delta-Z>   (normal = 1.000; perfect twin = 0.750):  0.986
<delta-Z^2> (normal = 2.000; perfect twin = 1.000):  2.074

 WRITTEN OUTPUT MTZ FILE 
 Logical Name: HKLOUT   Filename: staraniso_alldata.mtz 

 * Title:

 Run of STARANISO on: aimless_alldata.mtz

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 Test
          A
          1
            161.2010  161.2010  139.4630   90.0000   90.0000  120.0000
             0.97950

 * Number of Columns = 19

 * Number of Reflections = 69306

 * Missing value set to NaN in input mtz file

 * Column Labels :

 H K L IMEAN SIGIMEAN I(+) SIGI(+) I(-) SIGI(-) F SIGF F(+) SIGF(+) F(-) SIGF(-) DANO SIGDANO ISYM SA_flag

 * Column Types :

 H H H J Q K M K M F Q G L G L D Q Y I

 * Associated datasets :

 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

  161.2010  161.2010  139.4630   90.0000   90.0000  120.0000 

 *  Resolution Range :

    0.00005    0.33622     (    139.604 -      1.725 A )

 * Sort Order :

      0     0     0     0     0

 * Space group = 'P 63 2 2' (number     182)

  (spacegroup is known)


########################################################################################################################################################################################################


Total no. of unique reflections to diffraction limit:   114889
No. of observed reflections input:                      114889
No. of observed reflections after cut-off:               61998

########################################################################################################################################################################################################


CPU time used: 11.89 secs., elapsed: 11.90 secs.

<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 staraniso:  Normal termination.
Times: User:      11.5s System:    0.3s Elapsed:     0:11  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
      

  Spacegroup name          P6322
  Unit cell parameters     161.201 161.201 139.463 90.0 90.0 120.0
  Wavelength               0.97950 A
 
  Number of active ice-rings within this resolution range =  3

  Criteria used in determination of resolution cut:
  ------------------------------------------------- 
     Rpim           <=    0.6000
     I/sigI         >=    2.00
     CC(1/2)        >=    0.3000

                                              Overall  InnerShell  OuterShell
  ---------------------------------------------------------------------------
     Low resolution limit                      69.784      69.784       2.001
     High resolution limit                      1.967       5.339       1.967


     Rmerge  (all I+ & I-)                      0.042       0.018       0.462
     Rmerge  (within I+/I-)                     0.038       0.013       0.430
     Rmeas   (all I+ & I-)                      0.045       0.020       0.503
     Rmeas   (within I+/I-)                     0.044       0.015       0.503
     Rpim    (all I+ & I-)                      0.016       0.007       0.191
     Rpim    (within I+/I-)                     0.021       0.007       0.256
     Total number of observations              420171       21806       20183
     Total number unique                        67668        3689        3375
     Mean(I)/sd(I)                               22.6        73.8         2.4
     Completeness                                89.2        89.5        90.7
     Multiplicity                                 6.2         5.9         6.0
     CC(1/2)                                    1.000       1.000       0.957


     Anomalous completeness                      81.9        79.9        84.9
     Anomalous multiplicity                       3.5         3.6         3.3
     CC(ano)                                    0.421       0.786      -0.021
     |DANO|/sd(DANO)                            0.888       1.561       0.694
      

 ------------------------------------------------------------------------------------------------------------------------------------------------
                                                                                     Completeness    Multiplicity
                                                                                     --------------  ------------
            Resolution      #uniq     #Rfac  Rmerge   Rmeas    Rpim   #Isig  I/sigI     all     ano    all    ano CC(1/2)  #CCAno CC(ano)  SigAno
 ------------------------------------------------------------------------------------------------------------------------------------------------
         69.784 -   5.339    3689     21416   0.018   0.020   0.007    3689  73.835  0.8945  0.7990   5.91   3.62  0.9996    1758  0.7861   1.561
          5.339 -   4.238    3608     21572   0.021   0.022   0.008    3608  68.579  0.9239  0.8352   6.08   3.55  0.9996    2029  0.4398   1.267
          4.238 -   3.702    3626     22868   0.022   0.024   0.008    3626  61.017  0.9362  0.8570   6.40   3.67  0.9998    2128  0.3575   1.184
          3.702 -   3.364    3600     20643   0.028   0.030   0.011    3600  47.360  0.9419  0.8613   5.83   3.33  0.9996    2145  0.3110   1.079
          3.364 -   3.123    3603     22194   0.036   0.038   0.013    3603  37.605  0.9444  0.8462   6.26   3.60  0.9995    2178  0.3426   1.067
          3.123 -   2.939    3598     22788   0.046   0.049   0.017    3598  28.559  0.9471  0.8496   6.44   3.70  0.9993    2283  0.3421   0.986
          2.939 -   2.791    3579     21822   0.059   0.063   0.022    3579  20.503  0.9458  0.8621   6.17   3.48  0.9992    2242  0.2623   0.908
          2.791 -   2.670    2694     15534   0.071   0.077   0.028    2694  16.555  0.7125  0.6474   5.84   3.30  0.9987    1654  0.2547   0.875
          2.670 -   2.567    2847     17398   0.080   0.086   0.030    2847  13.984  0.7562  0.6894   6.19   3.47  0.9986    1776  0.2619   0.844
          2.567 -   2.479    3543     22493   0.099   0.106   0.037    3543  11.650  0.9483  0.8795   6.42   3.56  0.9980    2277  0.1657   0.812
          2.479 -   2.401    3571     22797   0.106   0.114   0.040    3571  10.367  0.9432  0.8730   6.45   3.57  0.9981    2299  0.1957   0.797
          2.401 -   2.332    3569     22933   0.128   0.137   0.048    3569   8.712  0.9487  0.8718   6.50   3.61  0.9967    2331  0.1781   0.767
          2.332 -   2.271    3528     20304   0.159   0.172   0.065    3528   6.891  0.9446  0.8710   5.83   3.24  0.9946    2280  0.1041   0.751
          2.271 -   2.216    2764     15904   0.201   0.217   0.080    2764   5.379  0.7386  0.6653   5.85   3.30  0.9902    1698  0.0463   0.697
          2.216 -   2.165    3541     22191   0.205   0.221   0.079    3541   5.440  0.9418  0.8803   6.33   3.47  0.9908    2312  0.0784   0.736
          2.165 -   2.119    3506     22380   0.244   0.263   0.094    3506   4.589  0.9415  0.8844   6.44   3.51  0.9888    2326  0.0718   0.722
          2.119 -   2.077    3505     22330   0.309   0.332   0.120    3505   3.675  0.9359  0.8808   6.43   3.50  0.9785    2333  0.0103   0.702
          2.077 -   2.038    2472     14966   0.346   0.374   0.136    2472   3.101  0.6611  0.6118   6.13   3.38  0.9746    1562 -0.0217   0.679
          2.038 -   2.001    3450     22340   0.377   0.407   0.146    3450   2.997  0.9262  0.8722   6.53   3.54  0.9697    2377  0.0154   0.699
          2.001 -   1.967    3375     19986   0.462   0.503   0.191    3375   2.399  0.9068  0.8494   5.98   3.25  0.9565    2312 -0.0208   0.694
 ------------------------------------------------------------------------------------------------------------------------------------------------
 Total:  69.784 -   1.967   67668    414859   0.042   0.045   0.016   67668  22.618  0.8922  0.8193   6.21   3.49  0.9997   42300  0.4209   0.888
      

<?xml version="1.0"?>
<AutoProcContainer>
  <AutoProc>
    <spaceGroup>P 63 2 2</spaceGroup>
    <wavelength>.97950</wavelength>
    <refinedCell_a>161.201</refinedCell_a>
    <refinedCell_b>161.201</refinedCell_b>
    <refinedCell_c>139.463</refinedCell_c>
    <refinedCell_alpha>90.000</refinedCell_alpha>
    <refinedCell_beta>90.000</refinedCell_beta>
    <refinedCell_gamma>120.000</refinedCell_gamma>
  </AutoProc>
  <AutoProcScalingContainer>
    <AutoProcScaling>
      <recordTimeStamp>2019-10-29 08:48:45</recordTimeStamp>
    </AutoProcScaling>
    <AutoProcScalingStatistics>
      <scalingStatisticsType>overall</scalingStatisticsType>
      <resolutionLimitLow>69.784</resolutionLimitLow>
      <resolutionLimitHigh>1.967</resolutionLimitHigh>
      <rMerge>.042</rMerge>
      <rMeasWithinIPlusIMinus>.044</rMeasWithinIPlusIMinus>
      <rMeasAllIPlusIMinus>.045</rMeasAllIPlusIMinus>
      <rPimWithinIPlusIMinus>.021</rPimWithinIPlusIMinus>
      <rPimAllIPlusIMinus>.016</rPimAllIPlusIMinus>
      <nTotalObservations>420171</nTotalObservations>
      <nTotalUniqueObservations>67668</nTotalUniqueObservations>
      <meanIOverSigI>22.6</meanIOverSigI>
      <completeness>89.2</completeness>
      <multiplicity>6.2</multiplicity>
      <ccHalf>1.000</ccHalf>
      <anomalousCompleteness>81.9</anomalousCompleteness>
      <anomalousMultiplicity>3.5</anomalousMultiplicity>
      <ccAnomalous>0.421</ccAnomalous>
      <DanoOverSigDano>.888</DanoOverSigDano>
    </AutoProcScalingStatistics>
    <AutoProcScalingStatistics>
      <scalingStatisticsType>innerShell</scalingStatisticsType>
      <resolutionLimitLow>69.784</resolutionLimitLow>
      <resolutionLimitHigh>5.339</resolutionLimitHigh>
      <rMerge>.018</rMerge>
      <rMeasWithinIPlusIMinus>.015</rMeasWithinIPlusIMinus>
      <rMeasAllIPlusIMinus>.020</rMeasAllIPlusIMinus>
      <rPimWithinIPlusIMinus>.007</rPimWithinIPlusIMinus>
      <rPimAllIPlusIMinus>.007</rPimAllIPlusIMinus>
      <nTotalObservations>21806</nTotalObservations>
      <nTotalUniqueObservations>3689</nTotalUniqueObservations>
      <meanIOverSigI>73.8</meanIOverSigI>
      <completeness>89.5</completeness>
      <multiplicity>5.9</multiplicity>
      <ccHalf>1.000</ccHalf>
      <anomalousCompleteness>79.9</anomalousCompleteness>
      <anomalousMultiplicity>3.6</anomalousMultiplicity>
      <ccAnomalous>0.786</ccAnomalous>
      <DanoOverSigDano>1.561</DanoOverSigDano>
    </AutoProcScalingStatistics>
    <AutoProcScalingStatistics>
      <scalingStatisticsType>outerShell</scalingStatisticsType>
      <resolutionLimitLow>2.001</resolutionLimitLow>
      <resolutionLimitHigh>1.967</resolutionLimitHigh>
      <rMerge>.462</rMerge>
      <rMeasWithinIPlusIMinus>.503</rMeasWithinIPlusIMinus>
      <rMeasAllIPlusIMinus>.503</rMeasAllIPlusIMinus>
      <rPimWithinIPlusIMinus>.256</rPimWithinIPlusIMinus>
      <rPimAllIPlusIMinus>.191</rPimAllIPlusIMinus>
      <nTotalObservations>20183</nTotalObservations>
      <nTotalUniqueObservations>3375</nTotalUniqueObservations>
      <meanIOverSigI>2.4</meanIOverSigI>
      <completeness>90.7</completeness>
      <multiplicity>6.0</multiplicity>
      <ccHalf>0.957</ccHalf>
      <anomalousCompleteness>84.9</anomalousCompleteness>
      <anomalousMultiplicity>3.3</anomalousMultiplicity>
      <ccAnomalous>-0.021</ccAnomalous>
      <DanoOverSigDano>.694</DanoOverSigDano>
    </AutoProcScalingStatistics>
  </AutoProcScalingContainer>
</AutoProcContainer>
      

  Spacegroup name          P6322
  Unit cell parameters     161.201 161.201 139.463 90.0 90.0 120.0
  Wavelength               0.97950 A
 
  Number of active ice-rings within this resolution range =  3

  Criteria used in determination of diffraction limits:
  -----------------------------------------------------
     local(I/sigI)  >=    1.20

                                              Overall  InnerShell  OuterShell
  ---------------------------------------------------------------------------
     Low resolution limit                      69.784      69.784       1.785
     High resolution limit                      1.755       4.763       1.755


     Rmerge  (all I+ & I-)                      0.047       0.019       2.591
     Rmerge  (within I+/I-)                     0.042       0.015       2.308
     Rmeas   (all I+ & I-)                      0.051       0.021       3.138
     Rmeas   (within I+/I-)                     0.049       0.017       3.037
     Rpim    (all I+ & I-)                      0.019       0.008       1.719
     Rpim    (within I+/I-)                     0.024       0.008       1.952
     Total number of observations              512450       30416       10657
     Total number unique                        92190        5173        3946
     Mean(I)/sd(I)                               16.8        71.9         0.3
     Completeness (spherical)                    86.8        90.2        75.8
     Completeness (ellipsoidal)                  89.4        90.2        13.4
     Multiplicity                                 5.6         5.9         2.7
     CC(1/2)                                    1.000       1.000       0.251


     Anomalous completeness (spherical)          78.8        80.6        59.6
     Anomalous completeness (ellipsoidal)        83.4        80.6         8.2
     Anomalous multiplicity                       3.1         3.6         1.6
     CC(ano)                                    0.387       0.706      -0.035
     |DANO|/sd(DANO)                            0.832       1.478       0.659
      

 -----------------------------------------------------------------------------------------------------------------------------------------------------------------
                                                                                     Compl. Spher.   Multiplicity                                   Compl. Ellip. 
                                                                                     --------------  ------------                                  --------------- 
            Resolution      #uniq     #Rfac  Rmerge   Rmeas    Rpim   #Isig  I/sigI     all     ano    all    ano CC(1/2)  #CCAno CC(ano)  SigAno    all     ano
 -----------------------------------------------------------------------------------------------------------------------------------------------------------------
         69.784 -   4.763    5173     29869   0.019   0.021   0.008    5173  71.910  0.9015  0.8059   5.88   3.56  0.9996    2573  0.7064   1.478   0.9015  0.8059
          4.763 -   3.781    5088     31901   0.021   0.023   0.008    5088  64.776  0.9319  0.8513   6.36   3.67  0.9997    2952  0.3839   1.208   0.9319  0.8513
          3.781 -   3.303    5080     29740   0.028   0.030   0.011    5080  47.992  0.9413  0.8605   5.95   3.40  0.9996    3020  0.3194   1.092   0.9413  0.8605
          3.303 -   3.001    5044     31452   0.040   0.043   0.015    5044  33.163  0.9453  0.8447   6.34   3.65  0.9994    3119  0.3525   1.030   0.9453  0.8447
          3.001 -   2.786    5057     31083   0.055   0.059   0.021    5057  21.941  0.9468  0.8615   6.23   3.53  0.9992    3189  0.3270   0.921   0.9468  0.8615
          2.786 -   2.622    3429     19912   0.072   0.078   0.028    3429  15.962  0.6452  0.5800   5.89   3.35  0.9987    2090  0.2389   0.875   0.6452  0.5800
          2.622 -   2.490    5030     31748   0.090   0.096   0.034    5030  12.645  0.9460  0.8780   6.38   3.53  0.9984    3227  0.2129   0.822   0.9460  0.8780
          2.490 -   2.382    5012     32033   0.110   0.118   0.041    5012  10.152  0.9458  0.8731   6.46   3.58  0.9979    3226  0.1897   0.797   0.9458  0.8731
          2.382 -   2.290    5002     30488   0.138   0.148   0.054    5002   7.846  0.9477  0.8687   6.17   3.44  0.9960    3236  0.1399   0.750   0.9666  0.9005
          2.290 -   2.211    4210     24381   0.190   0.206   0.077    4210   5.735  0.7990  0.7290   5.87   3.29  0.9920    2648  0.0695   0.720   0.8508  0.8349
          2.211 -   2.142    4960     31268   0.219   0.236   0.084    4960   5.121  0.9401  0.8802   6.37   3.48  0.9895    3257  0.0690   0.733   0.9951  0.9938
          2.142 -   2.081    4930     31453   0.282   0.304   0.109    4930   3.984  0.9380  0.8838   6.44   3.50  0.9846    3278  0.0432   0.706   0.9917  0.9909
          2.081 -   2.026    3893     24138   0.346   0.373   0.135    3893   3.121  0.7397  0.6880   6.27   3.44  0.9745    2528 -0.0249   0.680   0.7862  0.7736
          2.026 -   1.977    4812     30219   0.419   0.453   0.165    4812   2.702  0.9164  0.8591   6.34   3.45  0.9620    3312  0.0057   0.698   0.9902  0.9891
          1.977 -   1.932    4616     23647   0.644   0.712   0.294    4616   1.683  0.8757  0.8307   5.18   2.81  0.9282    3068  0.0161   0.684   0.9751  0.9852
          1.932 -   1.890    4368     19210   0.954   1.075   0.480    4368   1.113  0.8353  0.7820   4.47   2.43  0.8093    2535 -0.0297   0.689   0.8769  0.8949
          1.890 -   1.853    4276     16124   1.207   1.382   0.654    4276   0.814  0.8184  0.7352   3.88   2.17  0.7213    2039  0.0048   0.689   0.7761  0.7747
          1.853 -   1.818    4190     13896   1.757   2.050   1.026    4190   0.529  0.7964  0.6990   3.45   1.95  0.5381    1700 -0.0083   0.682   0.6173  0.5979
          1.818 -   1.785    4074     11670   2.255   2.681   1.408    4074   0.376  0.7784  0.6571   3.04   1.76  0.4312    1274  0.0225   0.668   0.4065  0.3631
          1.785 -   1.755    3946      9738   2.591   3.138   1.719    3946   0.276  0.7575  0.5963   2.70   1.63  0.2514     871 -0.0345   0.659   0.1339  0.0824
 -----------------------------------------------------------------------------------------------------------------------------------------------------------------
 Total:  69.784 -   1.755   92190    503970   0.047   0.051   0.019   92190  16.784  0.8679  0.7878   5.56   3.13  0.9996   53142  0.3867   0.832   0.8941  0.8341
      

<?xml version="1.0"?>
<AutoProcContainer>
  <AutoProc>
    <spaceGroup>P 63 2 2</spaceGroup>
    <wavelength>.97950</wavelength>
    <refinedCell_a>161.201</refinedCell_a>
    <refinedCell_b>161.201</refinedCell_b>
    <refinedCell_c>139.463</refinedCell_c>
    <refinedCell_alpha>90.000</refinedCell_alpha>
    <refinedCell_beta>90.000</refinedCell_beta>
    <refinedCell_gamma>120.000</refinedCell_gamma>
  </AutoProc>
  <AutoProcScalingContainer>
    <AutoProcScaling>
      <recordTimeStamp>2019-10-29 08:49:58</recordTimeStamp>
      <StaranisoEllipsoid>
        <StaranisoEllipsoidRotationMatrix>
          <StaranisoEllipsoidRotationMatrix11>1.00000</StaranisoEllipsoidRotationMatrix11>
          <StaranisoEllipsoidRotationMatrix12>.00000</StaranisoEllipsoidRotationMatrix12>
          <StaranisoEllipsoidRotationMatrix13>.00000</StaranisoEllipsoidRotationMatrix13>
          <StaranisoEllipsoidRotationMatrix21>.00000</StaranisoEllipsoidRotationMatrix21>
          <StaranisoEllipsoidRotationMatrix22>1.00000</StaranisoEllipsoidRotationMatrix22>
          <StaranisoEllipsoidRotationMatrix23>.00000</StaranisoEllipsoidRotationMatrix23>
          <StaranisoEllipsoidRotationMatrix31>.00000</StaranisoEllipsoidRotationMatrix31>
          <StaranisoEllipsoidRotationMatrix32>.00000</StaranisoEllipsoidRotationMatrix32>
          <StaranisoEllipsoidRotationMatrix33>1.00000</StaranisoEllipsoidRotationMatrix33>
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          <StaranisoEllipsoidEigenvalue1>2.33000</StaranisoEllipsoidEigenvalue1>
          <StaranisoEllipsoidEigenvalue2>2.33000</StaranisoEllipsoidEigenvalue2>
          <StaranisoEllipsoidEigenvalue3>1.62500</StaranisoEllipsoidEigenvalue3>
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    </AutoProcScaling>
    <AutoProcScalingStatistics>
      <scalingStatisticsType>overall</scalingStatisticsType>
      <resolutionLimitLow>69.784</resolutionLimitLow>
      <resolutionLimitHigh>1.755</resolutionLimitHigh>
      <rMerge>.047</rMerge>
      <rMeasWithinIPlusIMinus>.049</rMeasWithinIPlusIMinus>
      <rMeasAllIPlusIMinus>.051</rMeasAllIPlusIMinus>
      <rPimWithinIPlusIMinus>.024</rPimWithinIPlusIMinus>
      <rPimAllIPlusIMinus>.019</rPimAllIPlusIMinus>
      <nTotalObservations>512450</nTotalObservations>
      <nTotalUniqueObservations>92190</nTotalUniqueObservations>
      <meanIOverSigI>16.8</meanIOverSigI>
      <completenessSpherical>86.8</completenessSpherical>
      <completenessEllipsoidal>89.4</completenessEllipsoidal>
      <completeness>89.4</completeness>
      <multiplicity>5.6</multiplicity>
      <ccHalf>1.000</ccHalf>
      <anomalousCompletenessSpherical>78.8</anomalousCompletenessSpherical>
      <anomalousCompletenessEllipsoidal>83.4</anomalousCompletenessEllipsoidal>
      <anomalousCompleteness>83.4</anomalousCompleteness>
      <anomalousMultiplicity>3.1</anomalousMultiplicity>
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      <DanoOverSigDano>.832</DanoOverSigDano>
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      <rMeasAllIPlusIMinus>.021</rMeasAllIPlusIMinus>
      <rPimWithinIPlusIMinus>.008</rPimWithinIPlusIMinus>
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      <completenessEllipsoidal>90.2</completenessEllipsoidal>
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      <rMeasAllIPlusIMinus>3.138</rMeasAllIPlusIMinus>
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  Spacegroup name          P6322
  Unit cell parameters     161.201 161.201 139.463 90.0 90.0 120.0
  Wavelength               0.97950 A
 
    Diffraction limits & principal axes of ellipsoid fitted to diffraction cut-off surface:
    2.330         1.0000   0.0000   0.0000       0.894 _a_* - 0.447 _b_*
    2.330         0.0000   1.0000   0.0000       _b_*
    1.625         0.0000   0.0000   1.0000       _c_*
 
  Number of active ice-rings within this resolution range =  3

  Criteria used in determination of diffraction limits:
  -----------------------------------------------------
     local(I/sigI)  >=    1.20

                                              Overall  InnerShell  OuterShell
  ---------------------------------------------------------------------------
     Low resolution limit                      69.784      69.784       1.898
     High resolution limit                      1.755       5.674       1.755


     Rmerge  (all I+ & I-)                      0.041       0.018       0.594
     Rmerge  (within I+/I-)                     0.038       0.013       0.575
     Rmeas   (all I+ & I-)                      0.045       0.019       0.686
     Rmeas   (within I+/I-)                     0.044       0.015       0.732
     Rpim    (all I+ & I-)                      0.016       0.007       0.330
     Rpim    (within I+/I-)                     0.021       0.007       0.446
     Total number of observations              408872       18466       11961
     Total number unique                        61945        3095        3097
     Mean(I)/sd(I)                               24.8        75.7         1.9
     Completeness (spherical)                    58.3        89.1        14.1
     Completeness (ellipsoidal)                  88.5        89.1        55.3
     Multiplicity                                 6.6         6.0         3.9
     CC(1/2)                                    1.000       1.000       0.777


     Anomalous completeness (spherical)          54.0        79.5        13.4
     Anomalous completeness (ellipsoidal)        82.9        79.5        53.4
     Anomalous multiplicity                       3.7         3.7         2.1
     CC(ano)                                    0.417       0.782      -0.021
     |DANO|/sd(DANO)                            0.903       1.598       0.679
      

 -----------------------------------------------------------------------------------------------------------------------------------------------------------------
                                                                                     Compl. Spher.   Multiplicity                                   Compl. Ellip. 
                                                                                     --------------  ------------                                  --------------- 
            Resolution      #uniq     #Rfac  Rmerge   Rmeas    Rpim   #Isig  I/sigI     all     ano    all    ano CC(1/2)  #CCAno CC(ano)  SigAno    all     ano
 -----------------------------------------------------------------------------------------------------------------------------------------------------------------
         69.784 -   5.674    3095     18143   0.018   0.019   0.007    3095  75.668  0.8912  0.7952   5.97   3.68  0.9996    1442  0.7822   1.598   0.8912  0.7952
          5.674 -   4.480    3098     17948   0.021   0.023   0.009    3098  67.254  0.9201  0.8273   5.90   3.48  0.9995    1706  0.4697   1.303   0.9201  0.8273
          4.480 -   3.908    3097     19532   0.021   0.023   0.008    3097  65.305  0.9311  0.8532   6.40   3.68  0.9998    1813  0.3998   1.201   0.9311  0.8532
          3.908 -   3.548    3097     18017   0.025   0.027   0.010    3097  53.276  0.9391  0.8587   5.92   3.39  0.9997    1817  0.3086   1.127   0.9391  0.8587
          3.548 -   3.292    3099     18764   0.030   0.032   0.011    3099  45.703  0.9451  0.8620   6.15   3.50  0.9996    1855  0.3421   1.082   0.9451  0.8620
          3.292 -   3.096    3097     19173   0.039   0.041   0.014    3097  34.986  0.9433  0.8422   6.29   3.63  0.9994    1895  0.3313   1.055   0.9433  0.8422
          3.096 -   2.941    3096     19569   0.046   0.049   0.017    3096  28.177  0.9479  0.8478   6.43   3.71  0.9993    1959  0.3456   0.975   0.9479  0.8478
          2.941 -   2.810    3098     19412   0.057   0.061   0.021    3098  21.384  0.9419  0.8616   6.34   3.57  0.9993    1950  0.3283   0.919   0.9419  0.8616
          2.810 -   2.701    3096     17668   0.071   0.077   0.029    3096  16.561  0.9451  0.8630   5.78   3.25  0.9987    1919  0.1843   0.868   0.9451  0.8630
          2.701 -   2.564    3097     18801   0.080   0.087   0.031    3097  13.825  0.6265  0.5684   6.15   3.47  0.9986    1913  0.2761   0.844   0.6265  0.5684
          2.564 -   2.485    3099     20025   0.098   0.105   0.037    3099  11.845  0.9309  0.8793   6.51   3.55  0.9981    2032  0.1722   0.813   0.9309  0.8793
          2.485 -   2.414    3097     20468   0.104   0.111   0.039    3097  11.036  0.9095  0.8607   6.65   3.61  0.9981    2071  0.1860   0.796   0.9095  0.8607
          2.414 -   2.348    3098     20954   0.125   0.134   0.047    3098   9.357  0.8849  0.8379   6.81   3.70  0.9974    2147  0.1871   0.780   0.8849  0.8379
          2.348 -   2.284    3096     20490   0.143   0.154   0.056    3096   8.563  0.8084  0.7837   6.64   3.54  0.9956    2302  0.1096   0.754   0.9141  0.8838
          2.284 -   2.204    3098     22627   0.182   0.195   0.069    3098   7.623  0.5759  0.5657   7.32   3.86  0.9931    2561  0.0842   0.734   0.8469  0.8325
          2.204 -   2.137    3096     26087   0.207   0.220   0.074    3096   7.446  0.5977  0.5986   8.43   4.36  0.9924    2824  0.0795   0.753   0.9945  0.9932
          2.137 -   2.056    3099     26749   0.254   0.269   0.089    3099   6.276  0.4316  0.4265   8.64   4.50  0.9892    2776  0.0474   0.722   0.8607  0.8534
          2.056 -   1.980    3096     28923   0.281   0.297   0.096    3096   6.294  0.3965  0.3901   9.34   4.87  0.9847    2822  0.0103   0.710   0.9908  0.9898
          1.980 -   1.898    3099     20105   0.434   0.472   0.182    3099   3.542  0.3136  0.3104   6.49   3.39  0.9489    2642 -0.0009   0.700   0.9417  0.9548
          1.898 -   1.755    3097     11747   0.594   0.686   0.330    3097   1.948  0.1413  0.1340   3.86   2.07  0.7771    1549 -0.0206   0.679   0.5534  0.5340
 -----------------------------------------------------------------------------------------------------------------------------------------------------------------
 Total:  69.784 -   1.755   61945    405202   0.041   0.045   0.016   61945  24.802  0.5831  0.5399   6.60   3.65  0.9997   41995  0.4171   0.903   0.8846  0.8293
      

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